1,2-diisocyanato-5,7,7-trimethyl-octane

Systemtic Name: 1,2-diisocyanato-5,7,7-trimethyl-octane Openeye Name: 1,2-diisocyanato-5,7,7-trimethyl-octane CAS Name: 1,2-diisocyanato-5,7,7-trimethyloctane IUPAC Name: 1,2-diisocyanato-5,7,7-trimethyloctane Traditional Name: 1,2-diisocyanato-5,7,7-trimethyl-octane Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CN=C=O)N=C=O)CC(C)(C)C

Isomeric SMILES

CC(CCC(CN=C=O)N=C=O)CC(C)(C)C

InChI

InChI=1S/C13H22N2O2/c1-11(7-13(2,3)4)5-6-12(15-10-17)8-14-9-16/h11-12H,5-8H2,1-4H3