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

Systemtic Name: 3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylbenzoic acid Openeye Name: 3-(3-amino-4-hydroxy-4-oxo-butyl)sulfanylbenzoic acid CAS Name: 3-[(3-amino-4-hydroxy-4-oxobutyl)thio]benzoic acid IUPAC Name: 3-(3-amino-4-hydroxy-4-oxobutyl)sulfanylbenzoic acid Traditional Name: 3-[(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(=CC(=C1)SCCC(C(=O)O)N)C(=O)O

Isomeric SMILES

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

InChI

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