Home Chemical Formula (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate

Chemical Formula of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate (C26H21ClO4)

Identification of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate Chemical Compound

2D chemical structure image of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate
Chemical Formula C26H21ClO4
Molecular Weight 432.89554 g/mol
IUPAC Name (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate
SMILES String CCc4ccc(C=C3Oc2c(C)c(OC(=O)C(Cl)c1ccccc1)ccc2C3=O)cc4
InChI InChI=1S/C26H21ClO4/c1-3-17-9-11-18(12-10-17)15-22-24(28)20-13-14-21(16(2)25(20)30-22)31-26(29)23(27)19-7-5-4-6-8-19/h4-15,23H,3H2,1-2H3/b22-15-
InChIKey MVAPMLQRAIGJJZ-JCMHNJIXSA-N

Chemical Formula Description

The (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate molecule contains a total of 52 atom(s). There are 21 Hydrogen atom(s), 26 Carbon atom(s), 4 Oxygen atom(s) and 1 Chlorine atom(s). A chemical formula of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate can therefore be written as:

C26H21ClO4

The chemical formula of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate
Ball-and-stick model of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate

Additional Information for Identifying (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate Molecule


  • InChI (IUPAC International Chemical Identifier) information of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate is:

    InChI=1S/C26H21ClO4/c1-3-17-9-11-18(12-10-17)15-22-24(28)20-13-14-21(16(2)25(20)30-22)31-26(29)23(27)19-7-5-4-6-8-19/h4-15,23H,3H2,1-2H3/b22-15-

    It can provide a standard way to encode the molecular information of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate is:

    InChIKey=MVAPMLQRAIGJJZ-JCMHNJIXSA-N

    The InChIKey may allow easier web searches for (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate, but it needs to be linked to the full InChI to get back to the original structure of the (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate

    The (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate including the registry numbers is given below, if available:



    None available.


(2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?

    C26H21ClO4
  • How many atoms and what are they in the (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate structure?

    52 atom(s) – 21 Hydrogen atom(s), 26 Carbon atom(s), 4 Oxygen atom(s) and 1 Chlorine atom(s)
  • How many chemical bonds and what are they in the (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate structure?

    55 bond(s) – 34 non-H bond(s), 21 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic) and 1 ether(s) (aromatic)
  • What’s the molecular weight of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?

    432.89554 g/mol
  • What’s the SMILES string of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?

    CCc4ccc(C=C3Oc2c(C)c(OC(=O)C(Cl)c1ccccc1)ccc2C3=O)cc4
  • What’s the InChI of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?

    InChI=1S/C26H21ClO4/c1-3-17-9-11-18(12-10-17)15-22-24(28)20-13-14-21(16(2)25(20)30-22)31-26(29)23(27)19-7-5-4-6-8-19/h4-15,23H,3H2,1-2H3/b22-15-
  • What’s the InChIKey of (2Z)-2-[(4-ethylphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?

    MVAPMLQRAIGJJZ-JCMHNJIXSA-N

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