2-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylbenzoic acid

Systemtic Name: 2-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylbenzoic acid Openeye Name: 2-(3-amino-4-hydroxy-4-oxo-butyl)sulfanylbenzoic acid CAS Name: 2-[(3-amino-4-hydroxy-4-oxobutyl)thio]benzoic acid IUPAC Name: 2-(3-amino-4-hydroxy-4-oxobutyl)sulfanylbenzoic acid Traditional Name: 2-[(3-amino-4-hydroxy-4-keto-butyl)thio]benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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