1,1-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 1,1-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 1,1-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 1,1-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 1,1-diisocyanatohexane; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 1,1-diisocyanatohexane; 2-ethyl-2-methylol-propane-1,3-diol Formula: C30H50N6O9 MolecularWeight: 638.7528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H12N2O2.C6H14O3/c3*1-2-3-4-5-8(9-6-11)10-7-12;1-2-6(3-7,4-8)5-9/h3*8H,2-5H2,1H3;7-9H,2-5H2,1H3