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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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