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

Systemtic Name: [4-[2,5-dimethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-5-nitro-phenyl]-3-methylsulfonyloxy-6-nitro-phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-5-nitro-phenyl]-3-methylsulfonyloxy-6-nitro-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-5-nitrophenyl]-3-methylsulfonyloxy-6-nitrophenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-5-nitrophenyl]-3-methylsulfonyloxy-6-nitrophenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-5-nitro-phenyl]-3-methylsulfonyloxy-6-nitro-phenyl]phenyl] ester Formula: C28H30N2O16S3 MolecularWeight: 746.7366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1OS(=O)(=O)C)C2=C(C(=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)[N+](=O)[O-])OC)[N+](=O)[O-])C

Isomeric SMILES

CC(=CCOC1=C(C=C(C=C1OS(=O)(=O)C)C2=C(C(=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)[N+](=O)[O-])OC)[N+](=O)[O-])C

InChI

InChI=1S/C28H30N2O16S3/c1-16(2)12-13-43-25-20(29(31)32)14-18(15-21(25)45-48(6,37)38)23-26(41-3)24(30(33)34)22(27(42-4)28(23)46-49(7,39)40)17-8-10-19(11-9-17)44-47(5,35)36/h8-12,14-15H,13H2,1-7H3