(4-carboxy-2,6-dinitro-phenyl)-octyl-bis(phenylmethyl)azanium

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-octyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-octyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-(4-carboxy-2,6-dinitrophenyl)-octylazanium Traditional Name: dibenzyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-ammonium Formula: C29H34N3O6+ MolecularWeight: 520.59676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CC1=CC=CC=C1)(CC2=CC=CC=C2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](CC1=CC=CC=C1)(CC2=CC=CC=C2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C29H33N3O6/c1-2-3-4-5-6-13-18-32(21-23-14-9-7-10-15-23,22-24-16-11-8-12-17-24)28-26(30(35)36)19-25(29(33)34)20-27(28)31(37)38/h7-12,14-17,19-20H,2-6,13,18,21-22H2,1H3/p+1