1-[1-oxidanidyl-7-[4-(4-pentylphenyl)phenyl]benzotriazol-1-ium-2-yl]propan-1-one

Systemtic Name: 1-[1-oxidanidyl-7-[4-(4-pentylphenyl)phenyl]benzotriazol-1-ium-2-yl]propan-1-one Openeye Name: 1-[1-oxido-7-[4-(4-pentylphenyl)phenyl]benzotriazol-1-ium-2-yl]propan-1-one CAS Name: 1-[1-oxido-7-[4-(4-pentylphenyl)phenyl]-2-benzotriazol-1-iumyl]-1-propanone IUPAC Name: 1-[1-oxido-7-[4-(4-pentylphenyl)phenyl]benzotriazol-1-ium-2-yl]propan-1-one Traditional Name: 1-[7-[4-(4-amylphenyl)phenyl]-1-oxido-benzotriazol-1-ium-2-yl]propan-1-one Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=NN([N+](=C43)[O-])C(=O)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=NN([N+](=C43)[O-])C(=O)CC

InChI

InChI=1S/C26H27N3O2/c1-3-5-6-8-19-11-13-20(14-12-19)21-15-17-22(18-16-21)23-9-7-10-24-26(23)29(31)28(27-24)25(30)4-2/h7,9-18H,3-6,8H2,1-2H3