sodium (4-methyl-3-oxidanidylperoxysulfanyl-phenyl) 3-iodanylpropanoate

Systemtic Name: sodium (4-methyl-3-oxidanidylperoxysulfanyl-phenyl) 3-iodanylpropanoate Openeye Name: sodium (4-methyl-3-oxidoperoxysulfanyl-phenyl) 3-iodopropanoate CAS Name: sodium 3-iodopropanoic acid [4-methyl-3-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (4-methyl-3-oxidoperoxysulfanylphenyl) 3-iodopropanoate Traditional Name: sodium 3-iodopropionic acid [4-methyl-3-(oxidoperoxythio)phenyl] ester Formula: C10H10INaO5S MolecularWeight: 392.14264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CCI)SOO[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CCI)SOO[O-].[Na+]

InChI

InChI=1S/C10H11IO5S.Na/c1-7-2-3-8(14-10(12)4-5-11)6-9(7)17-16-15-13;/h2-3,6,13H,4-5H2,1H3;/q;+1/p-1