methyl 2-chloranyl-5-isothiocyanato-benzoate

Systemtic Name: methyl 2-chloranyl-5-isothiocyanato-benzoate Openeye Name: methyl 2-chloro-5-isothiocyanato-benzoate CAS Name: 2-chloro-5-isothiocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-isothiocyanatobenzoate Traditional Name: 2-chloro-5-isothiocyanato-benzoic acid methyl ester Formula: C9H6ClNO2S MolecularWeight: 227.66744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-6(11-5-14)2-3-8(7)10/h2-4H,1H3