3-phenyl-5-sulfanyl-benzoic acid; (sulfinoamino)ethane

Systemtic Name: 3-phenyl-5-sulfanyl-benzoic acid; (sulfinoamino)ethane Openeye Name: 3-phenyl-5-sulfanyl-benzoic acid; (sulfinoamino)ethane CAS Name: 3-mercapto-5-phenylbenzoic acid; (sulfinoamino)ethane IUPAC Name: 3-phenyl-5-sulfanylbenzoic acid; (sulfinoamino)ethane Traditional Name: 3-mercapto-5-phenyl-benzoic acid; (sulfinoamino)ethane Formula: C15H17NO4S2 MolecularWeight: 339.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.C1=CC=C(C=C1)C2=CC(=CC(=C2)S)C(=O)O

Isomeric SMILES

CCNS(=O)O.C1=CC=C(C=C1)C2=CC(=CC(=C2)S)C(=O)O

InChI

InChI=1S/C13H10O2S.C2H7NO2S/c14-13(15)11-6-10(7-12(16)8-11)9-4-2-1-3-5-9;1-2-3-6(4)5/h1-8,16H,(H,14,15);3H,2H2,1H3,(H,4,5)