2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)benzoic acid

Systemtic Name: 2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)benzoic acid Openeye Name: 2-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid CAS Name: 2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid IUPAC Name: 2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid Traditional Name: 2-(4-benzoxy-3-methylsulfonyloxy-phenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid Formula: C30H28O11S2 MolecularWeight: 628.66672

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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)C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H28O11S2/c1-37-26-17-23(20-10-13-22(14-11-20)40-42(3,33)34)29(38-2)28(30(31)32)27(26)21-12-15-24(25(16-21)41-43(4,35)36)39-18-19-8-6-5-7-9-19/h5-17H,18H2,1-4H3,(H,31,32)