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

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-pyrrolidin-1-yl-3-sulfanyl-pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-pyrrolidin-1-yl-3-sulfanyl-pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 3-mercapto-3-(1-pyrrolidinyl)pyrrolidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-pyrrolidin-1-yl-3-sulfanylpyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 3-mercapto-3-pyrrolidino-pyrrolidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C24H27N4O8S+ MolecularWeight: 531.55818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CC[N+](C2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1CCN(C1)C2(CC[N+](C2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C24H26N4O8S/c29-22(35-15-18-3-7-20(8-4-18)26(31)32)28(14-11-24(37,17-28)25-12-1-2-13-25)23(30)36-16-19-5-9-21(10-6-19)27(33)34/h3-10H,1-2,11-17H2/p+1