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

Systemtic Name: [4-[4-(4-butoxyphenyl)phenyl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-[4-(4-butoxyphenyl)phenyl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-[4-(4-butoxyphenyl)phenyl]phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-[4-(4-butoxyphenyl)phenyl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-[4-(4-butoxyphenyl)phenyl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C29H25N3O3/c1-2-3-20-35-26-18-16-24(17-19-26)22-10-8-21(9-11-22)23-12-14-25(15-13-23)29(33)31-27-6-4-5-7-28(27)32(34)30-31/h4-19H,2-3,20H2,1H3