4-(4-octylphenyl)-2-[2-(3-oxidanidylbenzotriazol-3-ium-1-yl)-2-oxidanylidene-ethyl]-1,2,4-triazol-3-one

Systemtic Name: 4-(4-octylphenyl)-2-[2-(3-oxidanidylbenzotriazol-3-ium-1-yl)-2-oxidanylidene-ethyl]-1,2,4-triazol-3-one Openeye Name: 4-(4-octylphenyl)-2-[2-(3-oxidobenzotriazol-3-ium-1-yl)-2-oxo-ethyl]-1,2,4-triazol-3-one CAS Name: 4-(4-octylphenyl)-2-[2-(3-oxido-1-benzotriazol-3-iumyl)-2-oxoethyl]-1,2,4-triazol-3-one IUPAC Name: 4-(4-octylphenyl)-2-[2-(3-oxidobenzotriazol-3-ium-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one Traditional Name: 2-[2-keto-2-(3-oxidobenzotriazol-3-ium-1-yl)ethyl]-4-(4-octylphenyl)-1,2,4-triazol-3-one Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2C=NN(C2=O)CC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2C=NN(C2=O)CC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C24H28N6O3/c1-2-3-4-5-6-7-10-19-13-15-20(16-14-19)27-18-25-28(24(27)32)17-23(31)29-21-11-8-9-12-22(21)30(33)26-29/h8-9,11-16,18H,2-7,10,17H2,1H3