2-(4-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-(4-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-(4-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-(4-carboxyphenyl)-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-(4-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(4-carboxyphenyl)-6-(2-mercaptoethyl)benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCS)C(=O)O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)CCS)C(=O)O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14O4S/c17-15(18)12-6-4-10(5-7-12)13-3-1-2-11(8-9-21)14(13)16(19)20/h1-7,21H,8-9H2,(H,17,18)(H,19,20)