[5-[4-(4-butoxyphenyl)phenyl]furan-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [5-[4-(4-butoxyphenyl)phenyl]furan-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [5-[4-(4-butoxyphenyl)phenyl]-2-furyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [5-[4-(4-butoxyphenyl)phenyl]-2-furanyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [5-[4-(4-butoxyphenyl)phenyl]furan-2-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [5-[4-(4-butoxyphenyl)phenyl]-2-furyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(O3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(O3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C27H23N3O4/c1-2-3-18-33-22-14-12-20(13-15-22)19-8-10-21(11-9-19)25-16-17-26(34-25)27(31)29-23-6-4-5-7-24(23)30(32)28-29/h4-17H,2-3,18H2,1H3