2-[3-[4-methyl-2,5-bis(oxidanylidene)furan-3-yl]propanoylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-[4-methyl-2,5-bis(oxidanylidene)furan-3-yl]propanoylsulfanyl]ethanoic acid Openeye Name: 2-[3-(4-methyl-2,5-dioxo-3-furyl)propanoylsulfanyl]acetic acid CAS Name: 2-[[3-(4-methyl-2,5-dioxo-3-furanyl)-1-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(4-methyl-2,5-dioxofuran-3-yl)propanoylsulfanyl]acetic acid Traditional Name: 2-[3-(2,5-diketo-4-methyl-3-furyl)propanoylthio]acetic acid Formula: C10H10O6S MolecularWeight: 258.2478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC1=O)CCC(=O)SCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC1=O)CCC(=O)SCC(=O)O

InChI

InChI=1S/C10H10O6S/c1-5-6(10(15)16-9(5)14)2-3-8(13)17-4-7(11)12/h2-4H2,1H3,(H,11,12)