7F6
(1R,2R)-1,2-diphenylethane-1,2-diol
Created: | 2016-10-17 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 2 |
Bond Count | 31 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (1R,2R)-1,2-diphenylethane-1,2-diol |
Synonyms | cis-stilbene epoxide, bound form |
Systematic Name (OpenEye OEToolkits) | (1~{R},2~{R})-1,2-diphenylethane-1,2-diol |
Formula | C14 H14 O2 |
Molecular Weight | 214.26 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(c1ccccc1)O)(O)c2ccccc2 |
SMILES | CACTVS | 3.385 | O[CH]([CH](O)c1ccccc1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(c2ccccc2)O)O |
Canonical SMILES | CACTVS | 3.385 | O[C@@H]([C@H](O)c1ccccc1)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O |
InChI | InChI | 1.03 | InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1 |
InChIKey | InChI | 1.03 | IHPDTPWNFBQHEB-ZIAGYGMSSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 853019 |
ChEBI | CHEBI:50014 |
CCDC/CSD | VABVEZ, RUXQUW, GUGDIV, ZINFEJ01, RUXRAD, ZAVXEZ, VABVAV |