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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)butane Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)butane CAS Name: 3-[(3-chlorophenyl)methylthio]benzoic acid; 1-(sulfinoamino)butane IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]benzoic acid; 1-(sulfinoamino)butane Traditional Name: 3-[(3-chlorobenzyl)thio]benzoic acid; 1-(sulfinoamino)butane Formula: C18H22ClNO4S2 MolecularWeight: 415.95458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClO2S.C4H11NO2S/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17;1-2-3-4-5-8(6)7/h1-8H,9H2,(H,16,17);5H,2-4H2,1H3,(H,6,7)