4-methyl-2-(1-oxidanylidene-1-propoxy-propan-2-yl)hexanoic acid

Systemtic Name: 4-methyl-2-(1-oxidanylidene-1-propoxy-propan-2-yl)hexanoic acid Openeye Name: 4-methyl-2-(1-methyl-2-oxo-2-propoxy-ethyl)hexanoic acid CAS Name: 4-methyl-2-(1-oxo-1-propoxypropan-2-yl)hexanoic acid IUPAC Name: 4-methyl-2-(1-oxo-1-propoxypropan-2-yl)hexanoic acid Traditional Name: 2-(2-keto-1-methyl-2-propoxy-ethyl)-4-methyl-hexanoic acid Formula: C13H24O4 MolecularWeight: 244.32726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)C(CC(C)CC)C(=O)O

Isomeric SMILES

CCCOC(=O)C(C)C(CC(C)CC)C(=O)O

InChI

InChI=1S/C13H24O4/c1-5-7-17-13(16)10(4)11(12(14)15)8-9(3)6-2/h9-11H,5-8H2,1-4H3,(H,14,15)