5-iodanyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-benzoate

Systemtic Name: 5-iodanyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-benzoate Openeye Name: 5-iodo-2-(2-oxido-2-oxo-ethyl)sulfanyl-benzoate CAS Name: 5-iodo-2-[(2-oxido-2-oxoethyl)thio]benzoate IUPAC Name: 5-iodo-2-(2-oxido-2-oxoethyl)sulfanylbenzoate Traditional Name: 5-iodo-2-[(2-keto-2-oxido-ethyl)thio]benzoate Formula: C9H5IO4S-2 MolecularWeight: 336.10307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)C(=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1I)C(=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C9H7IO4S/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)/p-2