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

Systemtic Name: butyl-heptyl-[4-(4-nitrophenyl)butyl]azanium; ethanedioate Openeye Name: butyl-heptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate CAS Name: butyl-heptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate IUPAC Name: butyl-heptyl-[4-(4-nitrophenyl)butyl]azanium; oxalate Traditional Name: butyl-heptyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate Formula: C44H74N4O8 MolecularWeight: 787.08036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H36N2O2.C2H2O4/c2*1-3-5-7-8-10-18-22(17-6-4-2)19-11-9-12-20-13-15-21(16-14-20)23(24)25;3-1(4)2(5)6/h2*13-16H,3-12,17-19H2,1-2H3;(H,3,4)(H,5,6)