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

Systemtic Name: [5-[3-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dimethoxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[3-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[3-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[3-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[4-(4-hydroxyphenyl)-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)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)CO)C4=CC=C(C=C4)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)CO)C4=CC=C(C=C4)O

InChI

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