2,3-diisocyanato-3,5,5-trimethyl-cyclohexan-1-one; ethane-1,2-diol

Systemtic Name: 2,3-diisocyanato-3,5,5-trimethyl-cyclohexan-1-one; ethane-1,2-diol Openeye Name: 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone; ethylene glycol CAS Name: 2,3-diisocyanato-3,5,5-trimethyl-1-cyclohexanone; ethane-1,2-diol IUPAC Name: 2,3-diisocyanato-3,5,5-trimethylcyclohexan-1-one; ethane-1,2-diol Traditional Name: 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone; ethylene glycol Formula: C13H20N2O5 MolecularWeight: 284.3083

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1)(C)N=C=O)N=C=O)C.C(CO)O

Isomeric SMILES

CC1(CC(=O)C(C(C1)(C)N=C=O)N=C=O)C.C(CO)O

InChI

InChI=1S/C11H14N2O3.C2H6O2/c1-10(2)4-8(16)9(12-6-14)11(3,5-10)13-7-15;3-1-2-4/h9H,4-5H2,1-3H3;3-4H,1-2H2