[1-[4-(4-butoxyphenyl)phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-(furan-2-yl)methanone

Systemtic Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-(furan-2-yl)methanone Openeye Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-(2-furyl)methanone CAS Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-4-benzotriazol-3-iumyl]-(2-furanyl)methanone IUPAC Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxidobenzotriazol-3-ium-4-yl]-(furan-2-yl)methanone Traditional Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-(2-furyl)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)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CO5

InChI

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