3-(4-octoxyphenyl)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)propan-1-one

Systemtic Name: 3-(4-octoxyphenyl)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)propan-1-one Openeye Name: 3-(4-octoxyphenyl)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one CAS Name: 3-(4-octoxyphenyl)-1-(3-oxido-1-benzotriazol-3-iumyl)-1-propanone IUPAC Name: 3-(4-octoxyphenyl)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Traditional Name: 3-(4-octoxyphenyl)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CCC(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CCC(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C23H29N3O3/c1-2-3-4-5-6-9-18-29-20-15-12-19(13-16-20)14-17-23(27)25-21-10-7-8-11-22(21)26(28)24-25/h7-8,10-13,15-16H,2-6,9,14,17-18H2,1H3