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

Systemtic Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone Openeye Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone CAS Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-4-benzotriazol-3-iumyl]-phenylmethanone IUPAC Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxidobenzotriazol-3-ium-4-yl]-phenylmethanone Traditional Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-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)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

InChI

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