8-(4-chlorophenyl)-2-(2-methylphenyl)sulfonyl-octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-2-(2-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(4-chlorophenyl)-2-(o-tolylsulfonyl)octanoic acid CAS Name: 8-(4-chlorophenyl)-2-(2-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(4-chlorophenyl)-2-(2-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(4-chlorophenyl)-2-(o-tolylsulfonyl)caprylic acid Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C21H25ClO4S/c1-16-8-6-7-10-19(16)27(25,26)20(21(23)24)11-5-3-2-4-9-17-12-14-18(22)15-13-17/h6-8,10,12-15,20H,2-5,9,11H2,1H3,(H,23,24)