[4-(4-heptylphenyl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [4-(4-heptylphenyl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-(4-heptylphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-(4-heptylphenyl)phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-(4-heptylphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-(4-heptylphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C26H27N3O2/c1-2-3-4-5-6-9-20-12-14-21(15-13-20)22-16-18-23(19-17-22)26(30)28-24-10-7-8-11-25(24)29(31)27-28/h7-8,10-19H,2-6,9H2,1H3