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

Systemtic Name: [4-(4-octoxyphenyl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-(4-octoxyphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-(4-octoxyphenyl)phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-(4-octoxyphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-(4-octoxyphenyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C27H29N3O3/c1-2-3-4-5-6-9-20-33-24-18-16-22(17-19-24)21-12-14-23(15-13-21)27(31)29-25-10-7-8-11-26(25)30(32)28-29/h7-8,10-19H,2-6,9,20H2,1H3