1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 1,3,5-triazinane-2,4,6-trione Openeye Name: 1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 1,3,5-triazinane-2,4,6-trione CAS Name: 1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 1,3,5-triazinane-2,4,6-trione Traditional Name: 1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; isocyanuric acid Formula: C36H60N6O6 MolecularWeight: 672.8982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)(C)CN=C=O)C.CC1(CCCC(C1)(C)CN=C=O)C.CC1(CCCC(C1)(C)CN=C=O)C.C1(=O)NC(=O)NC(=O)N1

Isomeric SMILES

CC1(CCCC(C1)(C)CN=C=O)C.CC1(CCCC(C1)(C)CN=C=O)C.CC1(CCCC(C1)(C)CN=C=O)C.C1(=O)NC(=O)NC(=O)N1

InChI

InChI=1S/3C11H19NO.C3H3N3O3/c3*1-10(2)5-4-6-11(3,7-10)8-12-9-13;7-1-4-2(8)6-3(9)5-1/h3*4-8H2,1-3H3;(H3,4,5,6,7,8,9)