SDF/Mol File of Clar Goblet (C38H18)
Identification of Clar Goblet Chemical Compound
| Chemical Formula | C38H18 |
|---|---|
| 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Clar Goblet 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 Clar Goblet 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.
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- Name: ethanol
- CAS #: 64-17-5
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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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Chemical structure of Clar Goblet
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Clar Goblet
The chemical formula of Clar Goblet is given in chemical formula page of Clar Goblet, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Clar Goblet
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of Clar Goblet including the registry numbers are listed below, if available:
- Clar Goblet
Clar Goblet Identification Summary Frequently Asked Questions (FAQs)
| What’s the Clar Goblet formula? |
|---|
| C38H18 |
| How many atoms and what elements are included in the Clar Goblet molecule? |
| 56 atom(s) - 18 Hydrogen atom(s) and 38 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are 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 Clar Goblet’s molar mass? |
| 474.54952 g/mol |
| What’s the SMILES structure of Clar Goblet? |
| C1=C6[C-]3C(=Cc4cccc5cc2cccc1c2c3c45)C7=Cc%10cccc%11cc8cccc9C=C6[CH+]7c(c89)c%10%11 |
| What’s the InChI code 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 format of Clar Goblet? |
| IQSWLUPJXFHUKA-UHFFFAOYSA-N |
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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).