3-oxidanylidene-2-phenacyl-pentanethioic S-acid

Systemtic Name: 3-oxidanylidene-2-phenacyl-pentanethioic S-acid Openeye Name: 3-oxo-2-phenacyl-pentanethioic S-acid CAS Name: 3-oxo-2-phenacylpentanethioic S-acid IUPAC Name: 3-oxo-2-phenacylpentanethioic S-acid Traditional Name: 3-keto-2-phenacyl-thiovaleric acid Formula: C13H14O3S MolecularWeight: 250.31346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(=O)C1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCC(=O)C(CC(=O)C1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C13H14O3S/c1-2-11(14)10(13(16)17)8-12(15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)