[4-[3-(hydroxymethyl)-2,5-dimethoxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[3-(hydroxymethyl)-2,5-dimethoxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-hydroxy-phenyl)-3-(hydroxymethyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-(hydroxymethyl)-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl] ester IUPAC Name: [4-[3-(hydroxymethyl)-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-hydroxy-phenyl)-2,5-dimethoxy-3-methylol-phenyl]phenyl] ester Formula: C29H28O8S MolecularWeight: 536.59282

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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)CO)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)CO)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H28O8S/c1-34-27-16-23(20-9-12-22(13-10-20)37-38(3,32)33)29(35-2)24(17-30)28(27)21-11-14-26(25(31)15-21)36-18-19-7-5-4-6-8-19/h4-16,30-31H,17-18H2,1-3H3