8-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyl-octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(4-chlorophenyl)-3,3-dimethyl-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(4-chlorophenyl)-3,3-dimethyl-2-tosyl-caprylic acid Formula: C23H29ClO4S MolecularWeight: 436.99196

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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)CCCCCC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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