(4-octylphenyl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: (4-octylphenyl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: (4-octylphenyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: (4-octylphenyl)-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (4-octylphenyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (4-octylphenyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C21H25N3O2/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)21(25)23-19-11-8-9-12-20(19)24(26)22-23/h8-9,11-16H,2-7,10H2,1H3