2-(4-chloranylphenoxy)-1-isothiocyanato-ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-isothiocyanato-ethanone Openeye Name: 2-(4-chlorophenoxy)acetyl isothiocyanate CAS Name: 2-(4-chlorophenoxy)-1-isothiocyanatoethanone IUPAC Name: 2-(4-chlorophenoxy)acetyl isothiocyanate Traditional Name: 2-(4-chlorophenoxy)-1-isothiocyanato-ethanone Formula: C9H6ClNO2S MolecularWeight: 227.66744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)N=C=S)Cl

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)N=C=S)Cl

InChI

InChI=1S/C9H6ClNO2S/c10-7-1-3-8(4-2-7)13-5-9(12)11-6-14/h1-4H,5H2