2,4-bis(oxidanylidene)-4-(2-propylsulfanylphenyl)butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-(2-propylsulfanylphenyl)butanoic acid Openeye Name: 2,4-dioxo-4-(2-propylsulfanylphenyl)butanoic acid CAS Name: 2,4-dioxo-4-[2-(propylthio)phenyl]butanoic acid IUPAC Name: 2,4-dioxo-4-(2-propylsulfanylphenyl)butanoic acid Traditional Name: 2,4-diketo-4-[2-(propylthio)phenyl]butyric acid Formula: C13H14O4S MolecularWeight: 266.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)CC(=O)C(=O)O

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C13H14O4S/c1-2-7-18-12-6-4-3-5-9(12)10(14)8-11(15)13(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)