methyl 5-iodanyl-2-isothiocyanato-benzoate

Systemtic Name: methyl 5-iodanyl-2-isothiocyanato-benzoate Openeye Name: methyl 5-iodo-2-isothiocyanato-benzoate CAS Name: 5-iodo-2-isothiocyanatobenzoic acid methyl ester IUPAC Name: methyl 5-iodo-2-isothiocyanatobenzoate Traditional Name: 5-iodo-2-isothiocyanato-benzoic acid methyl ester Formula: C9H6INO2S MolecularWeight: 319.11891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6INO2S/c1-13-9(12)7-4-6(10)2-3-8(7)11-5-14/h2-4H,1H3