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

Systemtic Name: [5-[3,6-dimethoxy-4-(4-methyl-3-nitro-phenyl)-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Openeye Name: [5-[3,6-dimethoxy-4-(4-methyl-3-nitro-phenyl)-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[3,6-dimethoxy-4-(4-methyl-3-nitrophenyl)-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] ester IUPAC Name: [5-[3,6-dimethoxy-4-(4-methyl-3-nitrophenyl)-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[3,6-dimethoxy-4-(4-methyl-3-nitro-phenyl)-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] ester Formula: C28H31NO11S2 MolecularWeight: 621.67584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H31NO11S2/c1-17(2)12-13-38-23-11-10-20(15-24(23)39-41(6,32)33)26-25(36-4)16-21(27(37-5)28(26)40-42(7,34)35)19-9-8-18(3)22(14-19)29(30)31/h8-12,14-16H,13H2,1-7H3