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

Systemtic Name: 4-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylbenzoic acid Openeye Name: 4-(3-amino-4-hydroxy-4-oxo-butyl)sulfanylbenzoic acid CAS Name: 4-[(3-amino-4-hydroxy-4-oxobutyl)thio]benzoic acid IUPAC Name: 4-(3-amino-4-hydroxy-4-oxobutyl)sulfanylbenzoic acid Traditional Name: 4-[(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=C1C(=O)O)SCCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCC(C(=O)O)N

InChI

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