diheptyl-[4-(4-nitrophenyl)butyl]azanium; ethanedioate

Systemtic Name: diheptyl-[4-(4-nitrophenyl)butyl]azanium; ethanedioate Openeye Name: diheptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate CAS Name: diheptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate IUPAC Name: diheptyl-[4-(4-nitrophenyl)butyl]azanium; oxalate Traditional Name: diheptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate Formula: C50H86N4O8 MolecularWeight: 871.23984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H42N2O2.C2H2O4/c2*1-3-5-7-9-12-20-25(21-13-10-8-6-4-2)22-14-11-15-23-16-18-24(19-17-23)26(27)28;3-1(4)2(5)6/h2*16-19H,3-15,20-22H2,1-2H3;(H,3,4)(H,5,6)