4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-diphenyl-methyl]benzoic acid; sodium

Systemtic Name: 4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-diphenyl-methyl]benzoic acid; sodium Openeye Name: 4-[(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-diphenyl-methyl]benzoic acid; sodium CAS Name: 4-[[(2-amino-3-hydroxy-3-oxopropyl)thio]-diphenylmethyl]benzoic acid; sodium IUPAC Name: 4-[(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-diphenylmethyl]benzoic acid; sodium Traditional Name: 4-[[(2-amino-3-hydroxy-3-keto-propyl)thio]-diphenyl-methyl]benzoic acid; sodium Formula: C23H21NNaO4S MolecularWeight: 430.47191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(=O)O)SCC(C(=O)O)N.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(=O)O)SCC(C(=O)O)N.[Na]

InChI

InChI=1S/C23H21NO4S.Na/c24-20(22(27)28)15-29-23(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-13-11-16(12-14-19)21(25)26;/h1-14,20H,15,24H2,(H,25,26)(H,27,28);