1-(3-oxidanidylbenzotriazol-3-ium-1-yl)-3-oxidanyl-hexadecan-1-one

Systemtic Name: 1-(3-oxidanidylbenzotriazol-3-ium-1-yl)-3-oxidanyl-hexadecan-1-one Openeye Name: 3-hydroxy-1-(3-oxidobenzotriazol-3-ium-1-yl)hexadecan-1-one CAS Name: 3-hydroxy-1-(3-oxido-1-benzotriazol-3-iumyl)-1-hexadecanone IUPAC Name: 3-hydroxy-1-(3-oxidobenzotriazol-3-ium-1-yl)hexadecan-1-one Traditional Name: 3-hydroxy-1-(3-oxidobenzotriazol-3-ium-1-yl)hexadecan-1-one Formula: C22H35N3O3 MolecularWeight: 389.5316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N1C2=CC=CC=C2[N+](=N1)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N1C2=CC=CC=C2[N+](=N1)[O-])O

InChI

InChI=1S/C22H35N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19(26)18-22(27)24-20-16-13-14-17-21(20)25(28)23-24/h13-14,16-17,19,26H,2-12,15,18H2,1H3