3-[1,3-bis(oxidanyl)propan-2-yl]-2-(hydroxymethyl)-2,3-diisocyanato-5,5-dimethyl-cyclohexan-1-one

Systemtic Name: 3-[1,3-bis(oxidanyl)propan-2-yl]-2-(hydroxymethyl)-2,3-diisocyanato-5,5-dimethyl-cyclohexan-1-one Openeye Name: 3-[2-hydroxy-1-(hydroxymethyl)ethyl]-2-(hydroxymethyl)-2,3-diisocyanato-5,5-dimethyl-cyclohexanone CAS Name: 3-(1,3-dihydroxypropan-2-yl)-2-(hydroxymethyl)-2,3-diisocyanato-5,5-dimethyl-1-cyclohexanone IUPAC Name: 3-(1,3-dihydroxypropan-2-yl)-2-(hydroxymethyl)-2,3-diisocyanato-5,5-dimethylcyclohexan-1-one Traditional Name: 3-(2-hydroxy-1-methylol-ethyl)-2,3-diisocyanato-5,5-dimethyl-2-methylol-cyclohexanone Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O6/c1-12(2)3-11(22)14(7-19,16-9-21)13(6-12,15-8-20)10(4-17)5-18/h10,17-19H,3-7H2,1-2H3