sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 3-iodanylpropanoate

Systemtic Name: sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 3-iodanylpropanoate Openeye Name: sodium (2-methyl-4-oxidoperoxysulfanyl-phenyl) 3-iodopropanoate CAS Name: sodium 3-iodopropanoic acid [2-methyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2-methyl-4-oxidoperoxysulfanylphenyl) 3-iodopropanoate Traditional Name: sodium 3-iodopropionic acid [2-methyl-4-(oxidoperoxythio)phenyl] ester Formula: C10H10INaO5S MolecularWeight: 392.14264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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