(6-octoxynaphthalen-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: (6-octoxynaphthalen-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: (6-octoxy-2-naphthyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: (6-octoxy-2-naphthalenyl)-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (6-octoxynaphthalen-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (6-octoxy-2-naphthyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C25H27N3O3/c1-2-3-4-5-6-9-16-31-22-15-14-19-17-21(13-12-20(19)18-22)25(29)27-23-10-7-8-11-24(23)28(30)26-27/h7-8,10-15,17-18H,2-6,9,16H2,1H3