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

Systemtic Name: [5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-nitrophenyl)phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Openeye Name: [5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-nitrophenyl)phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-nitrophenyl)phenyl]-2-(3-methylbut-2-enoxy)phenyl] ester IUPAC Name: [5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-nitrophenyl)phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-nitrophenyl)phenyl]-2-(3-methylbut-2-enoxy)phenyl] ester Formula: C27H29NO11S2 MolecularWeight: 607.64926

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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+](=O)[O-])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+](=O)[O-])OC)OS(=O)(=O)C)C

InChI

InChI=1S/C27H29NO11S2/c1-17(2)13-14-37-22-12-9-19(15-23(22)38-40(5,31)32)25-24(35-3)16-21(18-7-10-20(11-8-18)28(29)30)26(36-4)27(25)39-41(6,33)34/h7-13,15-16H,14H2,1-6H3