2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenoxyphenyl)methyl]-7-phenyl-heptanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenoxyphenyl)methyl]-7-phenyl-heptanoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenoxyphenyl)methyl]-7-phenyl-heptanoic acid CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenoxyphenyl)methyl]-7-phenylheptanoic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenoxyphenyl)methyl]-7-phenylheptanoic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenoxyphenyl)methyl]-7-phenyl-enanthic acid Formula: C34H36O7S MolecularWeight: 588.71044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)OC3=CC=CC=C3)C(CCCCCC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)OC3=CC=CC=C3)C(CCCCCC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C34H36O7S/c1-39-31-23-22-29(24-32(31)40-2)42(37,38)33(26-18-20-28(21-19-26)41-27-15-9-5-10-16-27)30(34(35)36)17-11-4-8-14-25-12-6-3-7-13-25/h3,5-7,9-10,12-13,15-16,18-24,30,33H,4,8,11,14,17H2,1-2H3,(H,35,36)