7-(4-chlorophenyl)-2-methyl-2-(4-methylphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-methyl-2-(4-methylphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-methyl-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-methyl-2-(4-methylphenyl)sulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-methyl-2-(4-methylphenyl)sulfonylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-methyl-2-tosyl-enanthic acid Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C)(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C)(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C21H25ClO4S/c1-16-7-13-19(14-8-16)27(25,26)21(2,20(23)24)15-5-3-4-6-17-9-11-18(22)12-10-17/h7-14H,3-6,15H2,1-2H3,(H,23,24)