[1-[2,5-bis(chloranyl)phenyl]-3-oxidanylidene-butan-2-yl] thiocyanate

Systemtic Name: [1-[2,5-bis(chloranyl)phenyl]-3-oxidanylidene-butan-2-yl] thiocyanate Openeye Name: [1-[(2,5-dichlorophenyl)methyl]-2-oxo-propyl] thiocyanate CAS Name: thiocyanic acid [1-(2,5-dichlorophenyl)-3-oxobutan-2-yl] ester IUPAC Name: [1-(2,5-dichlorophenyl)-3-oxobutan-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-(2,5-dichlorobenzyl)-2-keto-propyl] ester Formula: C11H9Cl2NOS MolecularWeight: 274.16626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=C(C=CC(=C1)Cl)Cl)SC#N

Isomeric SMILES

CC(=O)C(CC1=C(C=CC(=C1)Cl)Cl)SC#N

InChI

InChI=1S/C11H9Cl2NOS/c1-7(15)11(16-6-14)5-8-4-9(12)2-3-10(8)13/h2-4,11H,5H2,1H3