ethanedioate; heptyl-[4-(4-nitrophenyl)butyl]-propyl-azanium

Systemtic Name: ethanedioate; heptyl-[4-(4-nitrophenyl)butyl]-propyl-azanium Openeye Name: heptyl-[4-(4-nitrophenyl)butyl]-propyl-ammonium; oxalate CAS Name: heptyl-[4-(4-nitrophenyl)butyl]-propylammonium; oxalate IUPAC Name: heptyl-[4-(4-nitrophenyl)butyl]-propylazanium; oxalate Traditional Name: heptyl-[4-(4-nitrophenyl)butyl]-propyl-ammonium; oxalate Formula: C42H70N4O8 MolecularWeight: 759.0272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H34N2O2.C2H2O4/c2*1-3-5-6-7-9-17-21(16-4-2)18-10-8-11-19-12-14-20(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)