[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxy-phenyl]-2-(4-methylpent-3-enoxy)phenyl] methanesulfonate

Systemtic Name: [5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxy-phenyl]-2-(4-methylpent-3-enoxy)phenyl] methanesulfonate Openeye Name: [5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxy-phenyl]-2-(4-methylpent-3-enoxy)phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[3,6-dimethoxy-2-methylsulfonyloxy-4-[4-(methylthio)phenyl]phenyl]-2-(4-methylpent-3-enoxy)phenyl] ester IUPAC Name: [5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-(4-methylpent-3-enoxy)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[3,6-dimethoxy-2-methylsulfonyloxy-4-[4-(methylthio)phenyl]phenyl]-2-(4-methylpent-3-enoxy)phenyl] ester Formula: C29H34O9S3 MolecularWeight: 622.76986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)SC)OC)OS(=O)(=O)C)C

Isomeric SMILES

CC(=CCCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)SC)OC)OS(=O)(=O)C)C

InChI

InChI=1S/C29H34O9S3/c1-19(2)9-8-16-36-24-15-12-21(17-25(24)37-40(6,30)31)27-26(34-3)18-23(20-10-13-22(39-5)14-11-20)28(35-4)29(27)38-41(7,32)33/h9-15,17-18H,8,16H2,1-7H3