4-[7-(4-chlorophenyl)-5-(3,4-dimethylphenyl)octan-3-yl]benzenesulfonic acid

Systemtic Name: 4-[7-(4-chlorophenyl)-5-(3,4-dimethylphenyl)octan-3-yl]benzenesulfonic acid Openeye Name: 4-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-1-ethyl-hexyl]benzenesulfonic acid CAS Name: 4-[7-(4-chlorophenyl)-5-(3,4-dimethylphenyl)octan-3-yl]benzenesulfonic acid IUPAC Name: 4-[7-(4-chlorophenyl)-5-(3,4-dimethylphenyl)octan-3-yl]benzenesulfonic acid Traditional Name: 4-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-1-ethyl-hexyl]besylic acid Formula: C28H33ClO3S MolecularWeight: 485.07782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCC(CC(CC(C)C1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C28H33ClO3S/c1-5-22(24-10-14-28(15-11-24)33(30,31)32)18-26(25-7-6-19(2)20(3)16-25)17-21(4)23-8-12-27(29)13-9-23/h6-16,21-22,26H,5,17-18H2,1-4H3,(H,30,31,32)