2,2,3-triisocyanato-3,5,5-trimethyl-cyclohexan-1-one

Systemtic Name: 2,2,3-triisocyanato-3,5,5-trimethyl-cyclohexan-1-one Openeye Name: 2,2,3-triisocyanato-3,5,5-trimethyl-cyclohexanone CAS Name: 2,2,3-triisocyanato-3,5,5-trimethyl-1-cyclohexanone IUPAC Name: 2,2,3-triisocyanato-3,5,5-trimethylcyclohexan-1-one Traditional Name: 2,2,3-triisocyanato-3,5,5-trimethyl-cyclohexanone Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c1-10(2)4-9(19)12(14-7-17,15-8-18)11(3,5-10)13-6-16/h4-5H2,1-3H3