3-methyl-4-oxidanyl-octanoate

Systemtic Name: 3-methyl-4-oxidanyl-octanoate Openeye Name: 4-hydroxy-3-methyl-octanoate CAS Name: 4-hydroxy-3-methyloctanoate IUPAC Name: 4-hydroxy-3-methyloctanoate Traditional Name: 4-hydroxy-3-methyl-caprylate Formula: C9H17O3- MolecularWeight: 173.22948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)CC(=O)[O-])O

Isomeric SMILES

CCCCC(C(C)CC(=O)[O-])O

InChI

InChI=1S/C9H18O3/c1-3-4-5-8(10)7(2)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)/p-1