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2-(3,4-dimethoxyphenyl)sulfonyl-2-[(4-phenoxyphenyl)methyl]-7-phenyl-heptanoic acid
2-(3,4-dimethoxyphenyl)sulfonyl-2-[(4-phenoxyphenyl)methyl]-7-phenyl-heptanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=CC=C2)(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O)OC
Isomeric SMILES
COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=CC=C2)(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O)OC
InChI
InChI=1S/C34H36O7S/c1-39-31-22-21-30(24-32(31)40-2)42(37,38)34(33(35)36,23-11-5-8-14-26-12-6-3-7-13-26)25-27-17-19-29(20-18-27)41-28-15-9-4-10-16-28/h3-4,6-7,9-10,12-13,15-22,24H,5,8,11,14,23,25H2,1-2H3,(H,35,36)
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