isothiocyanato-(3-methoxycyclohexyl)methanone

Systemtic Name: isothiocyanato-(3-methoxycyclohexyl)methanone Openeye Name: 3-methoxycyclohexanecarbonyl isothiocyanate CAS Name: isothiocyanato-(3-methoxycyclohexyl)methanone IUPAC Name: 3-methoxycyclohexane-1-carbonyl isothiocyanate Traditional Name: isothiocyanato-(3-methoxycyclohexyl)methanone Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCC(C1)C(=O)N=C=S

Isomeric SMILES

COC1CCCC(C1)C(=O)N=C=S

InChI

InChI=1S/C9H13NO2S/c1-12-8-4-2-3-7(5-8)9(11)10-6-13/h7-8H,2-5H2,1H3