5-methyl-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 4-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-5-methyl-2-furoic acid Formula: C10H12O5S MolecularWeight: 244.26428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSC(C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSC(C)C(=O)O

InChI

InChI=1S/C10H12O5S/c1-5-7(3-8(15-5)10(13)14)4-16-6(2)9(11)12/h3,6H,4H2,1-2H3,(H,11,12)(H,13,14)