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

Systemtic Name: [5-[4-(4-dimethylaminophenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Openeye Name: [5-[4-(4-dimethylaminophenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(4-dimethylaminophenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] ester IUPAC Name: [5-[4-(4-dimethylaminophenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[4-(4-dimethylaminophenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] ester Formula: C29H35NO9S2 MolecularWeight: 605.7195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)N(C)C)OC)OS(=O)(=O)C)C

Isomeric SMILES

CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)N(C)C)OC)OS(=O)(=O)C)C

InChI

InChI=1S/C29H35NO9S2/c1-19(2)15-16-37-24-14-11-21(17-25(24)38-40(7,31)32)27-26(35-5)18-23(20-9-12-22(13-10-20)30(3)4)28(36-6)29(27)39-41(8,33)34/h9-15,17-18H,16H2,1-8H3