2,6-diisocyanato-2-methyl-hexanoic acid; 1,6-diisocyanato-2,2,4-trimethyl-hexane

Systemtic Name: 2,6-diisocyanato-2-methyl-hexanoic acid; 1,6-diisocyanato-2,2,4-trimethyl-hexane Openeye Name: 2,6-diisocyanato-2-methyl-hexanoic acid; 1,6-diisocyanato-2,2,4-trimethyl-hexane CAS Name: 2,6-diisocyanato-2-methylhexanoic acid; 1,6-diisocyanato-2,2,4-trimethylhexane IUPAC Name: 2,6-diisocyanato-2-methylhexanoic acid; 1,6-diisocyanato-2,2,4-trimethylhexane Traditional Name: 2,6-diisocyanato-2-methyl-hexanoic acid; 1,6-diisocyanato-2,2,4-trimethyl-hexane Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN=C=O)CC(C)(C)CN=C=O.CC(CCCCN=C=O)(C(=O)O)N=C=O

Isomeric SMILES

CC(CCN=C=O)CC(C)(C)CN=C=O.CC(CCCCN=C=O)(C(=O)O)N=C=O

InChI

InChI=1S/C11H18N2O2.C9H12N2O4/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15;1-9(8(14)15,11-7-13)4-2-3-5-10-6-12/h10H,4-7H2,1-3H3;2-5H2,1H3,(H,14,15)