2-(3-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanylbenzoic acid

Systemtic Name: 2-(3-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanylbenzoic acid Openeye Name: 2-(3-amino-5-hydroxy-5-oxo-pentyl)sulfanylbenzoic acid CAS Name: 2-[(3-amino-5-hydroxy-5-oxopentyl)thio]benzoic acid IUPAC Name: 2-(3-amino-5-hydroxy-5-oxopentyl)sulfanylbenzoic acid Traditional Name: 2-[(3-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)SCCC(CC(=O)O)N

Isomeric SMILES

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

InChI

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