1,6-diisocyanatohexane; methyl 2,6-diisocyanatohexanoate

Systemtic Name: 1,6-diisocyanatohexane; methyl 2,6-diisocyanatohexanoate Openeye Name: 1,6-diisocyanatohexane; methyl 2,6-diisocyanatohexanoate CAS Name: 1,6-diisocyanatohexane; 2,6-diisocyanatohexanoic acid methyl ester IUPAC Name: 1,6-diisocyanatohexane; methyl 2,6-diisocyanatohexanoate Traditional Name: 1,6-diisocyanatohexane; 2,6-diisocyanatohexanoic acid methyl ester Formula: C17H24N4O6 MolecularWeight: 380.39566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN=C=O)N=C=O.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

COC(=O)C(CCCCN=C=O)N=C=O.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C9H12N2O4.C8H12N2O2/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12;11-7-9-5-3-1-2-4-6-10-8-12/h8H,2-5H2,1H3;1-6H2