1,6-diisocyanatohexane; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: 1,6-diisocyanatohexane; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: 1,6-diisocyanatohexane; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: 1,6-diisocyanatohexane; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 1,6-diisocyanatohexane; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 1,6-diisocyanatohexane; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1)(C)C.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

CC1=CC(=O)CC(C1)(C)C.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C9H14O.C8H12N2O2/c1-7-4-8(10)6-9(2,3)5-7;11-7-9-5-3-1-2-4-6-10-8-12/h4H,5-6H2,1-3H3;1-6H2