methyl 2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoate

Systemtic Name: methyl 2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoate Openeye Name: methyl 2-[4-benzyloxy-3-(hydroxymethyl)phenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoate CAS Name: 2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid methyl ester IUPAC Name: methyl 2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoate Traditional Name: 2-(4-benzoxy-3-methylol-phenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid methyl ester Formula: C31H30O9S MolecularWeight: 578.6295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30O9S/c1-36-27-17-25(21-10-13-24(14-11-21)40-41(4,34)35)30(37-2)29(31(33)38-3)28(27)22-12-15-26(23(16-22)18-32)39-19-20-8-6-5-7-9-20/h5-17,32H,18-19H2,1-4H3