ethanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane

Systemtic Name: ethanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane Openeye Name: ethanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane CAS Name: ethanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane IUPAC Name: ethanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane Traditional Name: ethanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane Formula: C14H24N2O3 MolecularWeight: 268.35196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2.C2H6O/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;1-2-3/h10H,4-7H2,1-3H3;3H,2H2,1H3