3-[(2-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)propane

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)propane Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)propane CAS Name: 3-[(2-chlorophenyl)methylthio]benzoic acid; 1-(sulfinoamino)propane IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)propane Traditional Name: 3-[(2-chlorobenzyl)thio]benzoic acid; 1-(sulfinoamino)propane Formula: C17H20ClNO4S2 MolecularWeight: 401.928

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)O.C1=CC=C(C(=C1)CSC2=CC=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCNS(=O)O.C1=CC=C(C(=C1)CSC2=CC=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H11ClO2S.C3H9NO2S/c15-13-7-2-1-4-11(13)9-18-12-6-3-5-10(8-12)14(16)17;1-2-3-4-7(5)6/h1-8H,9H2,(H,16,17);4H,2-3H2,1H3,(H,5,6)