2-[4-[3-(4-chlorophenyl)sulfanylpropyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-chlorophenyl)sulfanylpropyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-chlorophenyl)sulfanylpropyl]phenyl]acetic acid CAS Name: 2-[4-[3-[(4-chlorophenyl)thio]propyl]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-chlorophenyl)sulfanylpropyl]phenyl]acetic acid Traditional Name: 2-[4-[3-[(4-chlorophenyl)thio]propyl]phenyl]acetic acid Formula: C17H17ClO2S MolecularWeight: 320.83368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCSC2=CC=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCSC2=CC=C(C=C2)Cl)CC(=O)O

InChI

InChI=1S/C17H17ClO2S/c18-15-7-9-16(10-8-15)21-11-1-2-13-3-5-14(6-4-13)12-17(19)20/h3-10H,1-2,11-12H2,(H,19,20)