2-(4-tert-butylphenyl)sulfonyl-8-(4-chlorophenyl)octanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-8-(4-chlorophenyl)octanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-8-(4-chlorophenyl)octanoic acid CAS Name: 2-(4-tert-butylphenyl)sulfonyl-8-(4-chlorophenyl)octanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-8-(4-chlorophenyl)octanoic acid Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-8-(4-chlorophenyl)caprylic acid Formula: C24H31ClO4S MolecularWeight: 451.01854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C24H31ClO4S/c1-24(2,3)19-12-16-21(17-13-19)30(28,29)22(23(26)27)9-7-5-4-6-8-18-10-14-20(25)15-11-18/h10-17,22H,4-9H2,1-3H3,(H,26,27)