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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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