methyl 2-[2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-oxidanyl-4-phenylmethoxy-phenyl)phenoxy]ethanoate

Systemtic Name: methyl 2-[2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-oxidanyl-4-phenylmethoxy-phenyl)phenoxy]ethanoate Openeye Name: methyl 2-[2-(4-benzyloxy-3-hydroxy-phenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)phenoxy]acetate CAS Name: 2-[2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)phenoxy]acetate Traditional Name: 2-[2-(4-benzoxy-3-hydroxy-phenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)phenoxy]acetic acid methyl ester Formula: C31H30O10S MolecularWeight: 594.6289

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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)OCC(=O)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C31H30O10S/c1-36-27-17-24(21-10-13-23(14-11-21)41-42(4,34)35)30(38-3)31(40-19-28(33)37-2)29(27)22-12-15-26(25(32)16-22)39-18-20-8-6-5-7-9-20/h5-17,32H,18-19H2,1-4H3