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

Systemtic Name: [4-[2,5-dimethoxy-3-(methoxymethoxymethyl)-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-hydroxy-phenyl)-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-hydroxy-phenyl)-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] ester Formula: C31H32O9S MolecularWeight: 580.64538

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC1=C(C(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)C4=CC=C(C=C4)OS(=O)(=O)C)OC

Isomeric SMILES

COCOCC1=C(C(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)C4=CC=C(C=C4)OS(=O)(=O)C)OC

InChI

InChI=1S/C31H32O9S/c1-35-20-38-19-26-30(23-12-15-28(27(32)16-23)39-18-21-8-6-5-7-9-21)29(36-2)17-25(31(26)37-3)22-10-13-24(14-11-22)40-41(4,33)34/h5-17,32H,18-20H2,1-4H3