sodium methyl 3-(methylperoxymethyl)-5-sulfinato-benzoate

Systemtic Name: sodium methyl 3-(methylperoxymethyl)-5-sulfinato-benzoate Openeye Name: sodium methyl 3-(methylperoxymethyl)-5-sulfinato-benzoate CAS Name: sodium 3-(methyldioxymethyl)-5-sulfinatobenzoic acid methyl ester IUPAC Name: sodium methyl 3-(methylperoxymethyl)-5-sulfinatobenzoate Traditional Name: sodium 3-(methylperoxymethyl)-5-sulfinato-benzoic acid methyl ester Formula: C10H11NaO6S MolecularWeight: 282.24551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[S-](=O)=O)COOC.[Na+]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[S-](=O)=O)COOC.[Na+]

InChI

InChI=1S/C10H11O6S.Na/c1-14-10(11)8-3-7(6-16-15-2)4-9(5-8)17(12)13;/h3-5H,6H2,1-2H3;/q-1;+1