4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]benzoic acid

Systemtic Name: 4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]benzoic acid Openeye Name: 4-[4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]benzoic acid CAS Name: 4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]benzoic acid IUPAC Name: 4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]benzoic acid Traditional Name: 4-[4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]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)C(=O)O)OC)OS(=O)(=O)C)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)C(=O)O)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

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