[4-(2-hexylphenyl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [4-(2-hexylphenyl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-(2-hexylphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-(2-hexylphenyl)phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-(2-hexylphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-(2-hexylphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C25H25N3O2/c1-2-3-4-5-10-19-11-6-7-12-22(19)20-15-17-21(18-16-20)25(29)27-23-13-8-9-14-24(23)28(30)26-27/h6-9,11-18H,2-5,10H2,1H3