7-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-3,3-dimethyl-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 7-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-3,3-dimethyl-2-tosyl-enanthic 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(C(=O)O)C(C)(C)CCCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)O)C(C)(C)CCCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H27ClO4S/c1-16-7-13-19(14-8-16)28(26,27)20(21(24)25)22(2,3)15-5-4-6-17-9-11-18(23)12-10-17/h7-14,20H,4-6,15H2,1-3H3,(H,24,25)