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

Systemtic Name: 1-[1-oxidanidyl-7-[4-(4-pentoxyphenyl)phenyl]benzotriazol-1-ium-2-yl]propan-1-one Openeye Name: 1-[1-oxido-7-[4-(4-pentoxyphenyl)phenyl]benzotriazol-1-ium-2-yl]propan-1-one CAS Name: 1-[1-oxido-7-[4-(4-pentoxyphenyl)phenyl]-2-benzotriazol-1-iumyl]-1-propanone IUPAC Name: 1-[1-oxido-7-[4-(4-pentoxyphenyl)phenyl]benzotriazol-1-ium-2-yl]propan-1-one Traditional Name: 1-[7-[4-(4-amoxyphenyl)phenyl]-1-oxido-benzotriazol-1-ium-2-yl]propan-1-one Formula: C26H27N3O3 MolecularWeight: 429.51088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=NN([N+](=C43)[O-])C(=O)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=NN([N+](=C43)[O-])C(=O)CC

InChI

InChI=1S/C26H27N3O3/c1-3-5-6-18-32-22-16-14-20(15-17-22)19-10-12-21(13-11-19)23-8-7-9-24-26(23)29(31)28(27-24)25(30)4-2/h7-17H,3-6,18H2,1-2H3