5-isocyanato-1-(isothiocyanatomethyl)-1,3,3-trimethyl-cyclohexane

Systemtic Name: 5-isocyanato-1-(isothiocyanatomethyl)-1,3,3-trimethyl-cyclohexane Openeye Name: 5-isocyanato-1-(isothiocyanatomethyl)-1,3,3-trimethyl-cyclohexane CAS Name: 5-isocyanato-1-(isothiocyanatomethyl)-1,3,3-trimethylcyclohexane IUPAC Name: 5-isocyanato-1-(isothiocyanatomethyl)-1,3,3-trimethylcyclohexane Traditional Name: 5-isocyanato-1-(isothiocyanatomethyl)-1,3,3-trimethyl-cyclohexane Formula: C12H18N2OS MolecularWeight: 238.34912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2OS/c1-11(2)4-10(14-8-15)5-12(3,6-11)7-13-9-16/h10H,4-7H2,1-3H3