T1N
Summary
| Name: | (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid |
| Formula: | C14 H14 O2 S |
| Formal charge: | 0 |
| Formula weight: | 246.325 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(c1ccc2c(c1)ccc(SC)c2)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CSc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.370 | CSc1ccc2cc(ccc2c1)[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(c1ccc2cc(ccc2c1)SC)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | DZFJDDMBLJXLJL-VIFPVBQESA-N |
