4-nitro-2-[[6-[(5-nitro-2-oxidanidyl-phenyl)methylazaniumyl]hexylazaniumyl]methyl]phenolate

Systemtic Name: 4-nitro-2-[[6-[(5-nitro-2-oxidanidyl-phenyl)methylazaniumyl]hexylazaniumyl]methyl]phenolate Openeye Name: 4-nitro-2-[[6-[(5-nitro-2-oxido-phenyl)methylammonio]hexylammonio]methyl]phenolate CAS Name: 4-nitro-2-[[6-[(5-nitro-2-oxidophenyl)methylammonio]hexylammonio]methyl]phenolate IUPAC Name: 4-nitro-2-[[6-[(5-nitro-2-oxidophenyl)methylazaniumyl]hexylazaniumyl]methyl]phenolate Traditional Name: 4-nitro-2-[[6-[(5-nitro-2-oxido-benzyl)ammonio]hexylammonio]methyl]phenolate Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C[NH2+]CCCCCC[NH2+]CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C[NH2+]CCCCCC[NH2+]CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-]

InChI

InChI=1S/C20H26N4O6/c25-19-7-5-17(23(27)28)11-15(19)13-21-9-3-1-2-4-10-22-14-16-12-18(24(29)30)6-8-20(16)26/h5-8,11-12,21-22,25-26H,1-4,9-10,13-14H2