3,4-dimethylhexane; 6-oxidanylidene-6-(2-oxidanylpropoxy)hexanoate

Systemtic Name: 3,4-dimethylhexane; 6-oxidanylidene-6-(2-oxidanylpropoxy)hexanoate Openeye Name: 3,4-dimethylhexane; 6-(2-hydroxypropoxy)-6-oxo-hexanoate CAS Name: 3,4-dimethylhexane; 6-(2-hydroxypropoxy)-6-oxohexanoate IUPAC Name: 3,4-dimethylhexane; 6-(2-hydroxypropoxy)-6-oxohexanoate Traditional Name: 3,4-dimethylhexane; 6-(2-hydroxypropoxy)-6-keto-hexanoate Formula: C17H33O5- MolecularWeight: 317.44092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)CC.CC(COC(=O)CCCCC(=O)[O-])O

Isomeric SMILES

CCC(C)C(C)CC.CC(COC(=O)CCCCC(=O)[O-])O

InChI

InChI=1S/C9H16O5.C8H18/c1-7(10)6-14-9(13)5-3-2-4-8(11)12;1-5-7(3)8(4)6-2/h7,10H,2-6H2,1H3,(H,11,12);7-8H,5-6H2,1-4H3/p-1