[2-(4-hexoxyphenyl)-3H-benzimidazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [2-(4-hexoxyphenyl)-3H-benzimidazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [2-(4-hexoxyphenyl)-3H-benzimidazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [2-(4-hexoxyphenyl)-3H-benzimidazol-5-yl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [2-(4-hexoxyphenyl)-3H-benzimidazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [2-(4-hexoxyphenyl)-3H-benzimidazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C26H25N5O3/c1-2-3-4-7-16-34-20-13-10-18(11-14-20)25-27-21-15-12-19(17-22(21)28-25)26(32)30-23-8-5-6-9-24(23)31(33)29-30/h5-6,8-15,17H,2-4,7,16H2,1H3,(H,27,28)