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

Systemtic Name: dibutyl-[4-(4-nitrophenyl)butyl]azanium; ethanedioate Openeye Name: dibutyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate CAS Name: dibutyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate IUPAC Name: dibutyl-[4-(4-nitrophenyl)butyl]azanium; oxalate Traditional Name: dibutyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate Formula: C38H62N4O8 MolecularWeight: 702.92088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H30N2O2.C2H2O4/c2*1-3-5-14-19(15-6-4-2)16-8-7-9-17-10-12-18(13-11-17)20(21)22;3-1(4)2(5)6/h2*10-13H,3-9,14-16H2,1-2H3;(H,3,4)(H,5,6)