(E)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)-3-[4-(4-pentylphenyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)-3-[4-(4-pentylphenyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(3-oxidobenzotriazol-3-ium-1-yl)-3-[4-(4-pentylphenyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(3-oxido-1-benzotriazol-3-iumyl)-3-[4-(4-pentylphenyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(3-oxidobenzotriazol-3-ium-1-yl)-3-[4-(4-pentylphenyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-[4-(4-amylphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C26H25N3O2/c1-2-3-4-7-20-10-15-22(16-11-20)23-17-12-21(13-18-23)14-19-26(30)28-24-8-5-6-9-25(24)29(31)27-28/h5-6,8-19H,2-4,7H2,1H3/b19-14+