3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[2-[4-(4,4-dimethyl-1-cyclohexenyl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 3-[2-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]ethyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3/c1-26(2)14-11-19(12-15-26)18-9-7-17(8-10-18)13-16-28-23-22(27-29(28)32)24(30)20-5-3-4-6-21(20)25(23)31/h3-11H,12-16H2,1-2H3