1,2-diisocyanato-3-methyl-benzene; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: 1,2-diisocyanato-3-methyl-benzene; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: 1,2-diisocyanato-3-methyl-benzene; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: 1,2-diisocyanato-3-methylbenzene; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 1,2-diisocyanato-3-methylbenzene; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 1,2-diisocyanato-3-methyl-benzene; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1)(C)C.CC1=C(C(=CC=C1)N=C=O)N=C=O

Isomeric SMILES

CC1=CC(=O)CC(C1)(C)C.CC1=C(C(=CC=C1)N=C=O)N=C=O

InChI

InChI=1S/C9H6N2O2.C9H14O/c1-7-3-2-4-8(10-5-12)9(7)11-6-13;1-7-4-8(10)6-9(2,3)5-7/h2-4H,1H3;4H,5-6H2,1-3H3