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SDF/Mol File of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate (C29H24F5NO5)

Identification of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate Chemical Compound

2D chemical structure image of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
Chemical Formula C29H24F5NO5
Molecular Weight 561.496576 g/mol
IUPAC Name (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
SMILES String CCN(CC)c4ccc(C=C3Oc2c(C)c(OC(=O)C(C)Oc1c(F)c(F)c(F)c(F)c1F)ccc2C3=O)cc4
InChI InChI=1S/C29H24F5NO5/c1-5-35(6-2)17-9-7-16(8-10-17)13-20-26(36)18-11-12-19(14(3)27(18)39-20)40-29(37)15(4)38-28-24(33)22(31)21(30)23(32)25(28)34/h7-13,15H,5-6H2,1-4H3/b20-13-
InChIKey JPECBKVVAVGMIH-MOSHPQCFSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
Ball-and-stick model of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate

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Additional Information for Identifying (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate Molecule

  • Other names (synonyms) or registry numbers of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate

    The (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate including the registry numbers are listed below, if available:



    None available.


(2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate formula?
C29H24F5NO5
How many atoms and what elements are included in the (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate molecule?
64 atom(s) - 24 Hydrogen atom(s), 29 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 5 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate structure?
67 bond(s) - 43 non-H bond(s), 21 multiple bond(s), 9 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), 1 tertiary amine(s) (aromatic), and 2 ether(s) (aromatic)
What’s the (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate’s molar mass?
561.496576 g/mol
What’s the SMILES structure of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate?
CCN(CC)c4ccc(C=C3Oc2c(C)c(OC(=O)C(C)Oc1c(F)c(F)c(F)c(F)c1F)ccc2C3=O)cc4
What’s the InChI code of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate?
InChI=1S/C29H24F5NO5/c1-5-35(6-2)17-9-7-16(8-10-17)13-20-26(36)18-11-12-19(14(3)27(18)39-20)40-29(37)15(4)38-28-24(33)22(31)21(30)23(32)25(28)34/h7-13,15H,5-6H2,1-4H3/b20-13-
What’s the InChIKey format of (2Z)-2-{[4-(diethylamino)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate?
JPECBKVVAVGMIH-MOSHPQCFSA-N

31 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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