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

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-pyrrolidin-1-yl-4-sulfanyl-pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-pyrrolidin-1-yl-4-sulfanyl-pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 3-mercapto-4-(1-pyrrolidinyl)pyrrolidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-pyrrolidin-1-yl-4-sulfanylpyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 3-mercapto-4-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)C2C[N+](CC2S)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2C[N+](CC2S)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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