bis[(4-nitrophenyl)methyl] 3-methylsulfonyloxy-3-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-methylsulfonyloxy-3-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-methylsulfonyloxy-3-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 3-methylsulfonyloxy-3-(1-pyrrolidinyl)pyrrolidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-methylsulfonyloxy-3-pyrrolidin-1-ylpyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 3-methylsulfonyloxy-3-pyrrolidino-pyrrolidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C25H29N4O11S+ MolecularWeight: 593.58296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CC[N+](C1)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CS(=O)(=O)OC1(CC[N+](C1)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C25H29N4O11S/c1-41(36,37)40-25(26-13-2-3-14-26)12-15-29(18-25,23(30)38-16-19-4-8-21(9-5-19)27(32)33)24(31)39-17-20-6-10-22(11-7-20)28(34)35/h4-11H,2-3,12-18H2,1H3/q+1