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

Systemtic Name: [4-[2-[4-(4-nitrophenyl)sulfonyloxyphenyl]butan-2-yl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[1-methyl-1-[4-(4-nitrophenyl)sulfonyloxyphenyl]propyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[2-[4-(4-nitrophenyl)sulfonyloxyphenyl]butan-2-yl]phenyl] ester IUPAC Name: [4-[2-[4-(4-nitrophenyl)sulfonyloxyphenyl]butan-2-yl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[1-methyl-1-(4-nosyloxyphenyl)propyl]phenyl] ester Formula: C28H24N2O10S2 MolecularWeight: 612.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C28H24N2O10S2/c1-3-28(2,20-4-12-24(13-5-20)39-41(35,36)26-16-8-22(9-17-26)29(31)32)21-6-14-25(15-7-21)40-42(37,38)27-18-10-23(11-19-27)30(33)34/h4-19H,3H2,1-2H3