3-(phenylmethyl)-4-sulfanyl-benzoic acid; (sulfinoamino)ethane

Systemtic Name: 3-(phenylmethyl)-4-sulfanyl-benzoic acid; (sulfinoamino)ethane Openeye Name: 3-benzyl-4-sulfanyl-benzoic acid; (sulfinoamino)ethane CAS Name: 4-mercapto-3-(phenylmethyl)benzoic acid; (sulfinoamino)ethane IUPAC Name: 3-benzyl-4-sulfanylbenzoic acid; (sulfinoamino)ethane Traditional Name: 3-benzyl-4-mercapto-benzoic acid; (sulfinoamino)ethane Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)O)S

Isomeric SMILES

CCNS(=O)O.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)O)S

InChI

InChI=1S/C14H12O2S.C2H7NO2S/c15-14(16)11-6-7-13(17)12(9-11)8-10-4-2-1-3-5-10;1-2-3-6(4)5/h1-7,9,17H,8H2,(H,15,16);3H,2H2,1H3,(H,4,5)