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

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-methylsulfonyloxy-4-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-methylsulfonyloxy-4-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 3-methylsulfonyloxy-4-(1-pyrrolidinyl)pyrrolidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-methylsulfonyloxy-4-pyrrolidin-1-ylpyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 3-methylsulfonyloxy-4-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)OC1C[N+](CC1N2CCCC2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1C[N+](CC1N2CCCC2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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