2-(1-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanylbenzoic acid

Systemtic Name: 2-(1-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanylbenzoic acid Openeye Name: 2-(1-amino-5-hydroxy-5-oxo-pentyl)sulfanylbenzoic acid CAS Name: 2-[(1-amino-5-hydroxy-5-oxopentyl)thio]benzoic acid IUPAC Name: 2-(1-amino-5-hydroxy-5-oxopentyl)sulfanylbenzoic acid Traditional Name: 2-[(1-amino-5-hydroxy-5-keto-pentyl)thio]benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC(CCCC(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC(CCCC(=O)O)N

InChI

InChI=1S/C12H15NO4S/c13-10(6-3-7-11(14)15)18-9-5-2-1-4-8(9)12(16)17/h1-2,4-5,10H,3,6-7,13H2,(H,14,15)(H,16,17)