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

Systemtic Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propane-1,3-diol Openeye Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propane-1,3-diol CAS Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; propane-1,3-diol IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; propane-1,3-diol Traditional Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; propane-1,3-diol Formula: C15H26N2O4 MolecularWeight: 298.37794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2.C3H8O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;4-2-1-3-5/h10H,4-7H2,1-3H3;4-5H,1-3H2