2-(4-tert-butylphenyl)sulfonyl-7-(4-chlorophenyl)heptanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-chlorophenyl)heptanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-chlorophenyl)heptanoic acid CAS Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-chlorophenyl)heptanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-chlorophenyl)heptanoic acid Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-chlorophenyl)enanthic acid Formula: C23H29ClO4S MolecularWeight: 436.99196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClO4S/c1-23(2,3)18-11-15-20(16-12-18)29(27,28)21(22(25)26)8-6-4-5-7-17-9-13-19(24)14-10-17/h9-16,21H,4-8H2,1-3H3,(H,25,26)