JKE
Summary
Name: | 2-sulfanylbenzoic acid |
Formula: | C7 H6 O2 S |
Formal charge: | 0 |
Formula weight: | 154.186 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-sulfanylbenzoic acid |
OpenEye OEToolkits | 1.7.0 | 2-sulfanylbenzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1S |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccccc1S |
SMILES | CACTVS | 3.370 | OC(=O)c1ccccc1S |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)O)S |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)O)S |
InChI | InChI | 1.03 | InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9) |
InChIKey | InChI | 1.03 | NBOMNTLFRHMDEZ-UHFFFAOYSA-N |