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

Systemtic Name: butane-1,1-diol; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexan-1-one Openeye Name: butane-1,1-diol; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone CAS Name: butane-1,1-diol; 2,3-diisocyanato-3,5,5-trimethyl-1-cyclohexanone IUPAC Name: butane-1,1-diol; 2,3-diisocyanato-3,5,5-trimethylcyclohexan-1-one Traditional Name: butane-1,1-diol; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone Formula: C15H24N2O5 MolecularWeight: 312.36146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3.C4H10O2/c1-10(2)4-8(16)9(12-6-14)11(3,5-10)13-7-15;1-2-3-4(5)6/h9H,4-5H2,1-3H3;4-6H,2-3H2,1H3