3,7-dimethyl-7-oxidanyl-octanoate

Systemtic Name: 3,7-dimethyl-7-oxidanyl-octanoate Openeye Name: 7-hydroxy-3,7-dimethyl-octanoate CAS Name: 7-hydroxy-3,7-dimethyloctanoate IUPAC Name: 7-hydroxy-3,7-dimethyloctanoate Traditional Name: 7-hydroxy-3,7-dimethyl-caprylate Formula: C10H19O3- MolecularWeight: 187.25606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O3/c1-8(7-9(11)12)5-4-6-10(2,3)13/h8,13H,4-7H2,1-3H3,(H,11,12)/p-1