2-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(2-amino-3-hydroxy-3-oxo-propyl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(2-amino-3-hydroxy-3-oxopropyl)thio]methyl]benzoic acid IUPAC Name: 2-[(2-amino-3-hydroxy-3-oxopropyl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(2-amino-3-hydroxy-3-keto-propyl)thio]methyl]benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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