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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)hexane Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)hexane CAS Name: 3-[(2-chlorophenyl)methylthio]benzoic acid; 1-(sulfinoamino)hexane IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)hexane Traditional Name: 3-[(2-chlorobenzyl)thio]benzoic acid; 1-(sulfinoamino)hexane Formula: C20H26ClNO4S2 MolecularWeight: 444.00774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClO2S.C6H15NO2S/c15-13-7-2-1-4-11(13)9-18-12-6-3-5-10(8-12)14(16)17;1-2-3-4-5-6-7-10(8)9/h1-8H,9H2,(H,16,17);7H,2-6H2,1H3,(H,8,9)