5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methylprop-2-eneperoxoic acid

Systemtic Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methylprop-2-eneperoxoic acid Openeye Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methylprop-2-eneperoxoic acid CAS Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyl-2-propeneperoxoic acid IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methylprop-2-eneperoxoic acid Traditional Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methylperoxyacrylic acid Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C

Isomeric SMILES

CC(=C)C(=O)OO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C

InChI

InChI=1S/C12H18N2O2.C4H6O3/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;1-3(2)4(5)7-6/h10H,4-7H2,1-3H3;6H,1H2,2H3