[1,1-bis(chloranyl)-2-(4-nitrophenyl)-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [1,1-bis(chloranyl)-2-(4-nitrophenyl)-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [1,1-dichloro-2-(4-nitrophenyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [1,1-dichloro-2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [1,1-dichloro-2-(4-nitrophenyl)-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [1,1-dichloro-2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C9H4Cl2N2O3S MolecularWeight: 291.11066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(SC#N)(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(SC#N)(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H4Cl2N2O3S/c10-9(11,17-5-12)8(14)6-1-3-7(4-2-6)13(15)16/h1-4H