2-azido-1-[4-(dioxidanyl)-2,6-diethyl-cyclohexa-1,5-dien-1-yl]ethanone

Systemtic Name: 2-azido-1-[4-(dioxidanyl)-2,6-diethyl-cyclohexa-1,5-dien-1-yl]ethanone Openeye Name: 2-azido-1-(2,6-diethyl-4-hydroperoxy-cyclohexa-1,5-dien-1-yl)ethanone CAS Name: 2-azido-1-(2,6-diethyl-4-hydroperoxy-1-cyclohexa-1,5-dienyl)ethanone IUPAC Name: 2-azido-1-(2,6-diethyl-4-hydroperoxycyclohexa-1,5-dien-1-yl)ethanone Traditional Name: 2-azido-1-(2,6-diethyl-4-hydroperoxy-cyclohexa-1,5-dien-1-yl)ethanone Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(C1)OO)CC)C(=O)CN=[N+]=[N-]

Isomeric SMILES

CCC1=C(C(=CC(C1)OO)CC)C(=O)CN=[N+]=[N-]

InChI

InChI=1S/C12H17N3O3/c1-3-8-5-10(18-17)6-9(4-2)12(8)11(16)7-14-15-13/h5,10,17H,3-4,6-7H2,1-2H3