1,6-diisocyanatohexane; (3-ethyloxetan-3-yl)methanol; oxirane

Systemtic Name: 1,6-diisocyanatohexane; (3-ethyloxetan-3-yl)methanol; oxirane Openeye Name: 1,6-diisocyanatohexane; (3-ethyloxetan-3-yl)methanol; oxirane CAS Name: 1,6-diisocyanatohexane; (3-ethyl-3-oxetanyl)methanol; oxirane IUPAC Name: 1,6-diisocyanatohexane; (3-ethyloxetan-3-yl)methanol; oxirane Traditional Name: 1,6-diisocyanatohexane; ethylene oxide; (3-ethyloxetan-3-yl)methanol Formula: C16H28N2O5 MolecularWeight: 328.40392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC1)CO.C1CO1.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

CCC1(COC1)CO.C1CO1.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C8H12N2O2.C6H12O2.C2H4O/c11-7-9-5-3-1-2-4-6-10-8-12;1-2-6(3-7)4-8-5-6;1-2-3-1/h1-6H2;7H,2-5H2,1H3;1-2H2