2-(2-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylbenzoic acid Openeye Name: 2-(2-amino-4-hydroxy-4-oxo-butyl)sulfanylbenzoic acid CAS Name: 2-[(2-amino-4-hydroxy-4-oxobutyl)thio]benzoic acid IUPAC Name: 2-(2-amino-4-hydroxy-4-oxobutyl)sulfanylbenzoic acid Traditional Name: 2-[(2-amino-4-hydroxy-4-keto-butyl)thio]benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(CC(=O)O)N

InChI

InChI=1S/C11H13NO4S/c12-7(5-10(13)14)6-17-9-4-2-1-3-8(9)11(15)16/h1-4,7H,5-6,12H2,(H,13,14)(H,15,16)