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

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-ethanoylsulfanyl-3-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-acetylsulfanyl-3-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 3-(acetylthio)-3-(1-pyrrolidinyl)pyrrolidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-acetylsulfanyl-3-pyrrolidin-1-ylpyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 3-(acetylthio)-3-pyrrolidino-pyrrolidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C26H29N4O9S+ MolecularWeight: 573.59486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(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

CC(=O)SC1(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/C26H29N4O9S/c1-19(31)40-26(27-13-2-3-14-27)12-15-30(18-26,24(32)38-16-20-4-8-22(9-5-20)28(34)35)25(33)39-17-21-6-10-23(11-7-21)29(36)37/h4-11H,2-3,12-18H2,1H3/q+1