8-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylsulfonyl]octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylsulfonyl]octanoic acid Openeye Name: 8-(4-chlorophenyl)-2-[2-(p-tolyl)ethylsulfonyl]octanoic acid CAS Name: 8-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylsulfonyl]octanoic acid IUPAC Name: 8-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylsulfonyl]octanoic acid Traditional Name: 8-(4-chlorophenyl)-2-[2-(p-tolyl)ethylsulfonyl]caprylic acid Formula: C23H29ClO4S MolecularWeight: 436.99196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C23H29ClO4S/c1-18-8-10-20(11-9-18)16-17-29(27,28)22(23(25)26)7-5-3-2-4-6-19-12-14-21(24)15-13-19/h8-15,22H,2-7,16-17H2,1H3,(H,25,26)