2-[4-(2-chlorophenyl)sulfinylphenyl]hexanoic acid

Systemtic Name: 2-[4-(2-chlorophenyl)sulfinylphenyl]hexanoic acid Openeye Name: 2-[4-(2-chlorophenyl)sulfinylphenyl]hexanoic acid CAS Name: 2-[4-(2-chlorophenyl)sulfinylphenyl]hexanoic acid IUPAC Name: 2-[4-(2-chlorophenyl)sulfinylphenyl]hexanoic acid Traditional Name: 2-[4-(2-chlorophenyl)sulfinylphenyl]hexanoic acid Formula: C18H19ClO3S MolecularWeight: 350.85966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)S(=O)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)S(=O)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C18H19ClO3S/c1-2-3-6-15(18(20)21)13-9-11-14(12-10-13)23(22)17-8-5-4-7-16(17)19/h4-5,7-12,15H,2-3,6H2,1H3,(H,20,21)