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

Systemtic Name: 4-[2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]benzoic acid Openeye Name: 4-[4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]benzoic acid CAS Name: 4-[2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]benzoic acid IUPAC Name: 4-[2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]benzoic acid Traditional Name: 4-[4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]benzoic acid Formula: C29H26O8S MolecularWeight: 534.57694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=C(C=C2)C(=O)O)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=C(C=C2)C(=O)O)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H26O8S/c1-34-26-17-24(27(35-2)16-23(26)20-9-11-21(12-10-20)29(30)31)22-13-14-25(28(15-22)37-38(3,32)33)36-18-19-7-5-4-6-8-19/h4-17H,18H2,1-3H3,(H,30,31)