4-[2-(4-chlorophenyl)ethoxy]-2-hexylsulfonyl-butanoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)ethoxy]-2-hexylsulfonyl-butanoic acid Openeye Name: 4-[2-(4-chlorophenyl)ethoxy]-2-hexylsulfonyl-butanoic acid CAS Name: 4-[2-(4-chlorophenyl)ethoxy]-2-hexylsulfonylbutanoic acid IUPAC Name: 4-[2-(4-chlorophenyl)ethoxy]-2-hexylsulfonylbutanoic acid Traditional Name: 4-[2-(4-chlorophenyl)ethoxy]-2-hexylsulfonyl-butyric acid Formula: C18H27ClO5S MolecularWeight: 390.92198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C(CCOCCC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)C(CCOCCC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C18H27ClO5S/c1-2-3-4-5-14-25(22,23)17(18(20)21)11-13-24-12-10-15-6-8-16(19)9-7-15/h6-9,17H,2-5,10-14H2,1H3,(H,20,21)