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

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-ethanoylsulfanyl-4-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-acetylsulfanyl-4-pyrrolidin-1-yl-pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 3-(acetylthio)-4-(1-pyrrolidinyl)pyrrolidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-acetylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 3-(acetylthio)-4-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)SC1C[N+](CC1N2CCCC2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1C[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/C26H29N4O9S/c1-18(31)40-24-15-30(14-23(24)27-12-2-3-13-27,25(32)38-16-19-4-8-21(9-5-19)28(34)35)26(33)39-17-20-6-10-22(11-7-20)29(36)37/h4-11,23-24H,2-3,12-17H2,1H3/q+1