5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; oxepan-2-one

Systemtic Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; oxepan-2-one Openeye Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; oxepan-2-one CAS Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-oxepanone IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; oxepan-2-one Traditional Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; oxepan-2-one Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)OCC1

Isomeric SMILES

CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)OCC1

InChI

InChI=1S/C12H18N2O2.C6H10O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;7-6-4-2-1-3-5-8-6/h10H,4-7H2,1-3H3;1-5H2