1,6-diisocyanato-5,6-dimethyl-heptane; 1-isocyanatohexane-1,6-diol

Systemtic Name: 1,6-diisocyanato-5,6-dimethyl-heptane; 1-isocyanatohexane-1,6-diol Openeye Name: 1,6-diisocyanato-5,6-dimethyl-heptane; 1-isocyanatohexane-1,6-diol CAS Name: 1,6-diisocyanato-5,6-dimethylheptane; 1-isocyanatohexane-1,6-diol IUPAC Name: 1,6-diisocyanato-5,6-dimethylheptane; 1-isocyanatohexane-1,6-diol Traditional Name: 1,6-diisocyanato-5,6-dimethyl-heptane; 1-isocyanatohexane-1,6-diol Formula: C18H31N3O5 MolecularWeight: 369.45584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN=C=O)C(C)(C)N=C=O.C(CCC(N=C=O)O)CCO

Isomeric SMILES

CC(CCCCN=C=O)C(C)(C)N=C=O.C(CCC(N=C=O)O)CCO

InChI

InChI=1S/C11H18N2O2.C7H13NO3/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14;9-5-3-1-2-4-7(11)8-6-10/h10H,4-7H2,1-3H3;7,9,11H,1-5H2