1,1-diisocyanatopropane hydrate

Systemtic Name: 1,1-diisocyanatopropane hydrate Openeye Name: 1,1-diisocyanatopropane hydrate CAS Name: 1,1-diisocyanatopropane hydrate IUPAC Name: 1,1-diisocyanatopropane hydrate Traditional Name: 1,1-diisocyanatopropane hydrate Formula: C10H14N4O5 MolecularWeight: 270.24196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N=C=O)N=C=O.CCC(N=C=O)N=C=O.O

Isomeric SMILES

CCC(N=C=O)N=C=O.CCC(N=C=O)N=C=O.O

InChI

InChI=1S/2C5H6N2O2.H2O/c2*1-2-5(6-3-8)7-4-9;/h2*5H,2H2,1H3;1H2