4-[[4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenoxy]methyl]benzoic acid Formula: C31H30O14S3 MolecularWeight: 722.7565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C31H30O14S3/c1-40-27-17-24(20-10-13-23(14-11-20)43-46(3,34)35)29(41-2)30(45-48(5,38)39)28(27)22-12-15-25(26(16-22)44-47(4,36)37)42-18-19-6-8-21(9-7-19)31(32)33/h6-17H,18H2,1-5H3,(H,32,33)