3,5-bis(iodanyl)-4-isothiocyanato-benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-4-isothiocyanato-benzoic acid Openeye Name: 3,5-diiodo-4-isothiocyanato-benzoic acid CAS Name: 3,5-diiodo-4-isothiocyanatobenzoic acid IUPAC Name: 3,5-diiodo-4-isothiocyanatobenzoic acid Traditional Name: 3,5-diiodo-4-isothiocyanato-benzoic acid Formula: C8H3I2NO2S MolecularWeight: 430.98886

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)N=C=S)I)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1I)N=C=S)I)C(=O)O

InChI

InChI=1S/C8H3I2NO2S/c9-5-1-4(8(12)13)2-6(10)7(5)11-3-14/h1-2H,(H,12,13)