1-azido-4-[(4-azidophenyl)methyl]benzene; (4,4-diazidocyclohexa-2,5-dien-1-yl)-phenyl-methanone

Systemtic Name: 1-azido-4-[(4-azidophenyl)methyl]benzene; (4,4-diazidocyclohexa-2,5-dien-1-yl)-phenyl-methanone Openeye Name: 1-azido-4-[(4-azidophenyl)methyl]benzene; (4,4-diazidocyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: 1-azido-4-[(4-azidophenyl)methyl]benzene; (4,4-diazido-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: 1-azido-4-[(4-azidophenyl)methyl]benzene; (4,4-diazidocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: 1-azido-4-(4-azidobenzyl)benzene; (4,4-diazidocyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C26H20N12O MolecularWeight: 516.5168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N=[N+]=[N-])N=[N+]=[N-].C1=CC(=CC=C1CC2=CC=C(C=C2)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N=[N+]=[N-])N=[N+]=[N-].C1=CC(=CC=C1CC2=CC=C(C=C2)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C13H10N6O.C13H10N6/c14-18-16-13(17-19-15)8-6-11(7-9-13)12(20)10-4-2-1-3-5-10;14-18-16-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17-19-15/h1-9,11H;1-8H,9H2