9-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-nonanoic acid

Systemtic Name: 9-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-nonanoic acid Openeye Name: 9-(4-chlorophenyl)-2-(p-tolylsulfonyl)nonanoic acid CAS Name: 9-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylnonanoic acid IUPAC Name: 9-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylnonanoic acid Traditional Name: 9-(4-chlorophenyl)-2-tosyl-pelargonic acid Formula: C22H27ClO4S MolecularWeight: 422.96538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C22H27ClO4S/c1-17-9-15-20(16-10-17)28(26,27)21(22(24)25)8-6-4-2-3-5-7-18-11-13-19(23)14-12-18/h9-16,21H,2-8H2,1H3,(H,24,25)