5-oxidanylidene-4-propanoyl-3-propylsulfanyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-propanoyl-3-propylsulfanyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 5-oxo-4-propanoyl-3-propylsulfanyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 5-oxo-4-(1-oxopropyl)-3-(propylthio)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 5-oxo-4-propanoyl-3-propylsulfanylcyclohex-3-ene-1-carboxylic acid Traditional Name: 5-keto-4-propionyl-3-(propylthio)cyclohex-3-ene-1-carboxylic acid Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=O)CC(C1)C(=O)O)C(=O)CC

Isomeric SMILES

CCCSC1=C(C(=O)CC(C1)C(=O)O)C(=O)CC

InChI

InChI=1S/C13H18O4S/c1-3-5-18-11-7-8(13(16)17)6-10(15)12(11)9(14)4-2/h8H,3-7H2,1-2H3,(H,16,17)