CF8
Summary
| Name: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid |
| Formula: | C20 H16 O2 S |
| Formal charge: | 0 |
| Formula weight: | 320.405 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13- |
| InChIKey | InChI | 1.03 | LALSQKFPBIDRFB-UYRXBGFRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C(S)=C/c1ccccc1Cc2ccc3ccccc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C(S)=Cc1ccccc1Cc2ccc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)Cc3ccccc3C=C(C(=O)O)S |
