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

Systemtic Name: ethanedioate; ethyl-heptyl-[4-(4-nitrophenyl)butyl]azanium Openeye Name: ethyl-heptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate CAS Name: ethyl-heptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate IUPAC Name: ethyl-heptyl-[4-(4-nitrophenyl)butyl]azanium; oxalate Traditional Name: ethyl-heptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate Formula: C40H66N4O8 MolecularWeight: 730.97404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H32N2O2.C2H2O4/c2*1-3-5-6-7-9-16-20(4-2)17-10-8-11-18-12-14-19(15-13-18)21(22)23;3-1(4)2(5)6/h2*12-15H,3-11,16-17H2,1-2H3;(H,3,4)(H,5,6)