(4-isothiocyanatocyclohexyl) ethanoate

Systemtic Name: (4-isothiocyanatocyclohexyl) ethanoate Openeye Name: (4-isothiocyanatocyclohexyl) acetate CAS Name: acetic acid (4-isothiocyanatocyclohexyl) ester IUPAC Name: (4-isothiocyanatocyclohexyl) acetate Traditional Name: acetic acid (4-isothiocyanatocyclohexyl) ester Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1)N=C=S

Isomeric SMILES

CC(=O)OC1CCC(CC1)N=C=S

InChI

InChI=1S/C9H13NO2S/c1-7(11)12-9-4-2-8(3-5-9)10-6-13/h8-9H,2-5H2,1H3