3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 3-[2-(4-cycloheptylphenyl)ethyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=CC=C(C=C2)CCN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

Isomeric SMILES

C1CCCC(CC1)C2=CC=C(C=C2)CCN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

InChI

InChI=1S/C25H25N3O3/c29-24-20-9-5-6-10-21(20)25(30)23-22(24)26-28(31)27(23)16-15-17-11-13-19(14-12-17)18-7-3-1-2-4-8-18/h5-6,9-14,18H,1-4,7-8,15-16H2