3-(2-carboxyethylsulfanyl)-2-methylidene-7-oxidanyl-heptanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-methylidene-7-oxidanyl-heptanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-7-hydroxy-2-methylene-heptanoic acid CAS Name: 3-(2-carboxyethylthio)-7-hydroxy-2-methyleneheptanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-7-hydroxy-2-methylideneheptanoic acid Traditional Name: 2-[1-(2-carboxyethylthio)-5-hydroxy-pentyl]acrylic acid Formula: C11H18O5S MolecularWeight: 262.32262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(CCCCO)SCCC(=O)O)C(=O)O

Isomeric SMILES

C=C(C(CCCCO)SCCC(=O)O)C(=O)O

InChI

InChI=1S/C11H18O5S/c1-8(11(15)16)9(4-2-3-6-12)17-7-5-10(13)14/h9,12H,1-7H2,(H,13,14)(H,15,16)