[4-[2-[4-(4-nitrophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[2-[4-(4-nitrophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[1-methyl-1-[4-(4-nitrophenyl)sulfonyloxyphenyl]ethyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[2-[4-(4-nitrophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] ester IUPAC Name: [4-[2-[4-(4-nitrophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[1-methyl-1-(4-nosyloxyphenyl)ethyl]phenyl] ester Formula: C27H22N2O10S2 MolecularWeight: 598.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O10S2/c1-27(2,19-3-11-23(12-4-19)38-40(34,35)25-15-7-21(8-16-25)28(30)31)20-5-13-24(14-6-20)39-41(36,37)26-17-9-22(10-18-26)29(32)33/h3-18H,1-2H3