sodium 2-iodanylethyl 3,5-dimethyl-4-oxidanidylperoxysulfanyl-benzoate

Systemtic Name: sodium 2-iodanylethyl 3,5-dimethyl-4-oxidanidylperoxysulfanyl-benzoate Openeye Name: sodium 2-iodoethyl 3,5-dimethyl-4-oxidoperoxysulfanyl-benzoate CAS Name: sodium 3,5-dimethyl-4-(oxidodioxythio)benzoic acid 2-iodoethyl ester IUPAC Name: sodium 2-iodoethyl 3,5-dimethyl-4-oxidoperoxysulfanylbenzoate Traditional Name: sodium 3,5-dimethyl-4-(oxidoperoxythio)benzoic acid 2-iodoethyl ester Formula: C11H12INaO5S MolecularWeight: 406.16922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOO[O-])C)C(=O)OCCI.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1SOO[O-])C)C(=O)OCCI.[Na+]

InChI

InChI=1S/C11H13IO5S.Na/c1-7-5-9(11(13)15-4-3-12)6-8(2)10(7)18-17-16-14;/h5-6,14H,3-4H2,1-2H3;/q;+1/p-1