methyl 2-(2-methyl-5-oxidanylsulfonothioyl-phenyl)propanoate

Systemtic Name: methyl 2-(2-methyl-5-oxidanylsulfonothioyl-phenyl)propanoate Openeye Name: methyl 2-(5-hydroxysulfonothioyl-2-methyl-phenyl)propanoate CAS Name: 2-(5-hydroxysulfonothioyl-2-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(5-hydroxysulfonothioyl-2-methylphenyl)propanoate Traditional Name: 2-(5-hydroxysulfonothioyl-2-methyl-phenyl)propionic acid methyl ester Formula: C11H14O4S2 MolecularWeight: 274.35646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=S)O)C(C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=S)O)C(C)C(=O)OC

InChI

InChI=1S/C11H14O4S2/c1-7-4-5-9(17(13,14)16)6-10(7)8(2)11(12)15-3/h4-6,8H,1-3H3,(H,13,14,16)