10-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyl-decanoic acid

Systemtic Name: 10-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyl-decanoic acid Openeye Name: 10-(4-chlorophenyl)-3,3-dimethyl-2-(p-tolylsulfonyl)decanoic acid CAS Name: 10-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyldecanoic acid IUPAC Name: 10-(4-chlorophenyl)-3,3-dimethyl-2-(4-methylphenyl)sulfonyldecanoic acid Traditional Name: 10-(4-chlorophenyl)-3,3-dimethyl-2-tosyl-capric acid Formula: C25H33ClO4S MolecularWeight: 465.04512

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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)CCCCCCCC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClO4S/c1-19-10-16-22(17-11-19)31(29,30)23(24(27)28)25(2,3)18-8-6-4-5-7-9-20-12-14-21(26)15-13-20/h10-17,23H,4-9,18H2,1-3H3,(H,27,28)