3-sulfanylbenzoic acid; (sulfinoamino)ethane

Systemtic Name: 3-sulfanylbenzoic acid; (sulfinoamino)ethane Openeye Name: 3-sulfanylbenzoic acid; (sulfinoamino)ethane CAS Name: 3-mercaptobenzoic acid; (sulfinoamino)ethane IUPAC Name: 3-sulfanylbenzoic acid; (sulfinoamino)ethane Traditional Name: 3-mercaptobenzoic acid; (sulfinoamino)ethane Formula: C9H13NO4S2 MolecularWeight: 263.33382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2S.C2H7NO2S/c8-7(9)5-2-1-3-6(10)4-5;1-2-3-6(4)5/h1-4,10H,(H,8,9);3H,2H2,1H3,(H,4,5)