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

Systemtic Name: dihexyl-[4-(4-nitrophenyl)butyl]azanium; ethanedioate Openeye Name: dihexyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate CAS Name: dihexyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate IUPAC Name: dihexyl-[4-(4-nitrophenyl)butyl]azanium; oxalate Traditional Name: dihexyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate Formula: C46H78N4O8 MolecularWeight: 815.13352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H38N2O2.C2H2O4/c2*1-3-5-7-10-18-23(19-11-8-6-4-2)20-12-9-13-21-14-16-22(17-15-21)24(25)26;3-1(4)2(5)6/h2*14-17H,3-13,18-20H2,1-2H3;(H,3,4)(H,5,6)