4-isothiocyanato-5,5-dimethyl-cyclohex-3-en-1-one

Systemtic Name: 4-isothiocyanato-5,5-dimethyl-cyclohex-3-en-1-one Openeye Name: 4-isothiocyanato-5,5-dimethyl-cyclohex-3-en-1-one CAS Name: 4-isothiocyanato-5,5-dimethyl-1-cyclohex-3-enone IUPAC Name: 4-isothiocyanato-5,5-dimethylcyclohex-3-en-1-one Traditional Name: 4-isothiocyanato-5,5-dimethyl-cyclohex-3-en-1-one Formula: C9H11NOS MolecularWeight: 181.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC=C1N=C=S)C

Isomeric SMILES

CC1(CC(=O)CC=C1N=C=S)C

InChI

InChI=1S/C9H11NOS/c1-9(2)5-7(11)3-4-8(9)10-6-12/h4H,3,5H2,1-2H3