[6-(3,7-dimethyloctoxy)naphthalen-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [6-(3,7-dimethyloctoxy)naphthalen-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [6-(3,7-dimethyloctoxy)-2-naphthyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [6-(3,7-dimethyloctoxy)-2-naphthalenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [6-(3,7-dimethyloctoxy)naphthalen-2-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [6-(3,7-dimethyloctoxy)-2-naphthyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CC(C)CCCC(C)CCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C27H31N3O3/c1-19(2)7-6-8-20(3)15-16-33-24-14-13-21-17-23(12-11-22(21)18-24)27(31)29-25-9-4-5-10-26(25)30(32)28-29/h4-5,9-14,17-20H,6-8,15-16H2,1-3H3