2-(4-methylsulfinylphenyl)sulfinyl-5-(oxidanylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-(4-methylsulfinylphenyl)sulfinyl-5-(oxidanylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(hydroxyamino)-2-(4-methylsulfinylphenyl)sulfinyl-5-oxo-pentanoic acid CAS Name: 5-(hydroxyamino)-2-(4-methylsulfinylphenyl)sulfinyl-5-oxopentanoic acid IUPAC Name: 5-(hydroxyamino)-2-(4-methylsulfinylphenyl)sulfinyl-5-oxopentanoic acid Traditional Name: 5-(hydroxyamino)-5-keto-2-(4-methylsulfinylphenyl)sulfinyl-valeric acid Formula: C12H15NO6S2 MolecularWeight: 333.3806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)S(=O)C(CCC(=O)NO)C(=O)O

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)S(=O)C(CCC(=O)NO)C(=O)O

InChI

InChI=1S/C12H15NO6S2/c1-20(18)8-2-4-9(5-3-8)21(19)10(12(15)16)6-7-11(14)13-17/h2-5,10,17H,6-7H2,1H3,(H,13,14)(H,15,16)