3-chloranyl-4-oxidanylidene-octanoic acid

Systemtic Name: 3-chloranyl-4-oxidanylidene-octanoic acid Openeye Name: 3-chloro-4-oxo-octanoic acid CAS Name: 3-chloro-4-oxooctanoic acid IUPAC Name: 3-chloro-4-oxooctanoic acid Traditional Name: 3-chloro-4-keto-caprylic acid Formula: C8H13ClO3 MolecularWeight: 192.64002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC(=O)O)Cl

Isomeric SMILES

CCCCC(=O)C(CC(=O)O)Cl

InChI

InChI=1S/C8H13ClO3/c1-2-3-4-7(10)6(9)5-8(11)12/h6H,2-5H2,1H3,(H,11,12)