3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(4-phenylbutyl)heptanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(4-phenylbutyl)heptanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(4-phenylbutyl)heptanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(4-phenylbutyl)heptanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(4-phenylbutyl)heptanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(4-phenylbutyl)enanthic acid Formula: C31H38O6S MolecularWeight: 538.69482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCC2=CC=CC=C2)C(CCCCC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCC2=CC=CC=C2)C(CCCCC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C31H38O6S/c1-36-28-22-21-26(23-29(28)37-2)38(34,35)30(20-12-10-18-25-15-7-4-8-16-25)27(31(32)33)19-11-9-17-24-13-5-3-6-14-24/h3-8,13-16,21-23,27,30H,9-12,17-20H2,1-2H3,(H,32,33)