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

Systemtic Name: diethyl-[4-(4-nitrophenyl)butyl]azanium; ethanedioate Openeye Name: diethyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate CAS Name: diethyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate IUPAC Name: diethyl-[4-(4-nitrophenyl)butyl]azanium; oxalate Traditional Name: diethyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate Formula: C30H46N4O8 MolecularWeight: 590.70824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H22N2O2.C2H2O4/c2*1-3-15(4-2)12-6-5-7-13-8-10-14(11-9-13)16(17)18;3-1(4)2(5)6/h2*8-11H,3-7,12H2,1-2H3;(H,3,4)(H,5,6)