3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(5-phenylpentyl)heptanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(5-phenylpentyl)heptanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(5-phenylpentyl)heptanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(5-phenylpentyl)heptanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(5-phenylpentyl)heptanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-(5-phenylpentyl)enanthic acid Formula: C32H40O6S MolecularWeight: 552.7214

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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(CCCCCC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCC2=CC=CC=C2)C(CCCCCC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C32H40O6S/c1-37-29-23-22-27(24-30(29)38-2)39(35,36)31(21-13-12-19-26-16-8-4-9-17-26)28(32(33)34)20-11-5-10-18-25-14-6-3-7-15-25/h3-4,6-9,14-17,22-24,28,31H,5,10-13,18-21H2,1-2H3,(H,33,34)