methyl 2-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]benzoate

Systemtic Name: methyl 2-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]benzoate Openeye Name: methyl 2-[4-(4-benzyloxy-3-hydroxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]benzoate CAS Name: 2-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]benzoate Traditional Name: 2-[4-(4-benzoxy-3-hydroxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]benzoic acid methyl ester Formula: C30H28O9S MolecularWeight: 564.60292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=CC=C2C(=O)OC)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=CC=C2C(=O)OC)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C30H28O9S/c1-35-26-17-23(21-12-8-9-13-22(21)30(32)37-3)28(36-2)29(39-40(4,33)34)27(26)20-14-15-25(24(31)16-20)38-18-19-10-6-5-7-11-19/h5-17,31H,18H2,1-4H3