Formula of Clar Goblet (C38H18)
Identification of Clar Goblet Chemical Compound
Chemical Formula | C38H18 |
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Molecular Weight | 474.54952 g/mol |
IUPAC Name | undecacyclo[17.15.1.1^{2,6}.1^{4,12}.1^{25,29}.0^{3,18}.0^{5,10}.0^{21,26}.0^{27,35}.0^{28,33}.0^{16,37}]octatriaconta-1(34),2(38),4,6,8,10,12(37),13,15,17,19,21,23,25,27,29(36),30,32-octadecaen-3-ylium-35-ide |
SMILES String | C1=C6[C-]3C(=Cc4cccc5cc2cccc1c2c3c45)C7=Cc%10cccc%11cc8cccc9C=C6[CH+]7c(c89)c%10%11 |
InChI | InChI=1S/C38H18/c1-5-19-13-20-6-2-10-24-17-29-30-18-26-12-4-8-22-14-21-7-3-11-25-16-28(36(30)38(33(21)25)34(22)26)27-15-23(9-1)31(19)37(32(20)24)35(27)29/h1-18H |
InChIKey | IQSWLUPJXFHUKA-UHFFFAOYSA-N |
Chemical Formula Description
The Clar Goblet molecule contains a total of 56 atom(s). There are 18 Hydrogen atom(s) and 38 Carbon atom(s). A chemical formula of Clar Goblet can therefore be written as:
C38H18
The chemical formula of Clar Goblet 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.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Clar Goblet Molecule
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Structure Data File (SDF/MOL File) of Clar Goblet
The structure data file (SDF/MOL File) of Clar Goblet is available for download in the SDF page of Clar Goblet providing the information about the atoms, bonds, connectivity and coordinates of Clar Goblet, which is not completely available in the chemical formula representation. The Clar Goblet structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Clar Goblet
The chemical structure image of Clar Goblet is available in chemical structure page of Clar Goblet, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Clar Goblet and the chemical bonds that hold the atoms together.
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Molecular weight of Clar Goblet
The molecular weight of Clar Goblet is available in molecular weight page of Clar Goblet, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Clar Goblet.
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InChI (IUPAC International Chemical Identifier) information of Clar Goblet
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Clar Goblet is:
InChI=1S/C38H18/c1-5-19-13-20-6-2-10-24-17-29-30-18-26-12-4-8-22-14-21-7-3-11-25-16-28(36(30)38(33(21)25)34(22)26)27-15-23(9-1)31(19)37(32(20)24)35(27)29/h1-18H
It can provide a standard way to encode the molecular information of Clar Goblet 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 Clar Goblet is:
InChIKey=IQSWLUPJXFHUKA-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Clar Goblet, but it needs to be linked to the full InChI to get back to the original structure of the Clar Goblet since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Clar Goblet
The Clar Goblet compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Clar Goblet including the registry numbers is given below, if available:
- Clar Goblet
Clar Goblet Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Clar Goblet? |
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C38H18 |
How many atoms and what are they in the Clar Goblet structure? |
56 atom(s) - 18 Hydrogen atom(s) and 38 Carbon atom(s) |
How many chemical bonds and what are they in the Clar Goblet structure? |
66 bond(s) - 48 non-H bond(s), 48 multiple bond(s), 48 aromatic bond(s), 11 six-membered ring(s), 18 ten-membered ring(s), and 8 twelve-membered ring(s) |
What’s the molecular weight of Clar Goblet? |
474.54952 g/mol |
What’s the SMILES string of Clar Goblet? |
C1=C6[C-]3C(=Cc4cccc5cc2cccc1c2c3c45)C7=Cc%10cccc%11cc8cccc9C=C6[CH+]7c(c89)c%10%11 |
What’s the InChI of Clar Goblet? |
InChI=1S/C38H18/c1-5-19-13-20-6-2-10-24-17-29-30-18-26-12-4-8-22-14-21-7-3-11-25-16-28(36(30)38(33(21)25)34(22)26)27-15-23(9-1)31(19)37(32(20)24)35(27)29/h1-18H |
What’s the InChIKey of Clar Goblet? |
IQSWLUPJXFHUKA-UHFFFAOYSA-N |
523
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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).