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

Systemtic Name: (E)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)-3-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(3-oxidobenzotriazol-3-ium-1-yl)-3-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(3-oxido-1-benzotriazol-3-iumyl)-3-[4-(4-pentoxyphenyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(3-oxidobenzotriazol-3-ium-1-yl)-3-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-[4-(4-amoxyphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C26H25N3O3/c1-2-3-6-19-32-23-16-14-22(15-17-23)21-12-9-20(10-13-21)11-18-26(30)28-24-7-4-5-8-25(24)29(31)27-28/h4-5,7-18H,2-3,6,19H2,1H3/b18-11+