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ethanedioate; 4-(4-nitrophenyl)butyl-dipentyl-azanium

ethanedioate; 4-(4-nitrophenyl)butyl-dipentyl-azanium

Systemtic Name:ethanedioate; 4-(4-nitrophenyl)butyl-dipentyl-azanium
Openeye Name:4-(4-nitrophenyl)butyl-dipentyl-ammonium; oxalate
CAS Name:4-(4-nitrophenyl)butyl-dipentylammonium; oxalate
IUPAC Name:4-(4-nitrophenyl)butyl-dipentylazanium; oxalate
Traditional Name:diamyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate
Formula: C42H70N4O8
MolecularWeight: 759.0272
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CCCCC[NH+](CCCCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]


Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CCCCC[NH+](CCCCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]


InChI

InChI=1S/2C20H34N2O2.C2H2O4/c2*1-3-5-8-16-21(17-9-6-4-2)18-10-7-11-19-12-14-20(15-13-19)22(23)24;3-1(4)2(5)6/h2*12-15H,3-11,16-18H2,1-2H3;(H,3,4)(H,5,6)


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