[4-(4-nonoxyphenyl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [4-(4-nonoxyphenyl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-(4-nonoxyphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-(4-nonoxyphenyl)phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-(4-nonoxyphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-(4-nonoxyphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C28H31N3O3/c1-2-3-4-5-6-7-10-21-34-25-19-17-23(18-20-25)22-13-15-24(16-14-22)28(32)30-26-11-8-9-12-27(26)31(33)29-30/h8-9,11-20H,2-7,10,21H2,1H3