3-sulfanylbenzoic acid; (sulfinoamino)benzene

Systemtic Name: 3-sulfanylbenzoic acid; (sulfinoamino)benzene Openeye Name: 3-sulfanylbenzoic acid; (sulfinoamino)benzene CAS Name: 3-mercaptobenzoic acid; (sulfinoamino)benzene IUPAC Name: 3-sulfanylbenzoic acid; (sulfinoamino)benzene Traditional Name: 3-mercaptobenzoic acid; (sulfinoamino)benzene Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)S)C(=O)O

InChI

InChI=1S/C7H6O2S.C6H7NO2S/c8-7(9)5-2-1-3-6(10)4-5;8-10(9)7-6-4-2-1-3-5-6/h1-4,10H,(H,8,9);1-5,7H,(H,8,9)