2,2-dimethylpropane-1,3-diol; 6-(1-oxidanylhexoxy)-6-oxidanylidene-hexanoate

Systemtic Name: 2,2-dimethylpropane-1,3-diol; 6-(1-oxidanylhexoxy)-6-oxidanylidene-hexanoate Openeye Name: 2,2-dimethylpropane-1,3-diol; 6-(1-hydroxyhexoxy)-6-oxo-hexanoate CAS Name: 2,2-dimethylpropane-1,3-diol; 6-(1-hydroxyhexoxy)-6-oxohexanoate IUPAC Name: 2,2-dimethylpropane-1,3-diol; 6-(1-hydroxyhexoxy)-6-oxohexanoate Traditional Name: 2,2-dimethylpropane-1,3-diol; 6-(1-hydroxyhexoxy)-6-keto-hexanoate Formula: C17H33O7- MolecularWeight: 349.43972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(O)OC(=O)CCCCC(=O)[O-].CC(C)(CO)CO

Isomeric SMILES

CCCCCC(O)OC(=O)CCCCC(=O)[O-].CC(C)(CO)CO

InChI

InChI=1S/C12H22O5.C5H12O2/c1-2-3-4-8-11(15)17-12(16)9-6-5-7-10(13)14;1-5(2,3-6)4-7/h11,15H,2-9H2,1H3,(H,13,14);6-7H,3-4H2,1-2H3/p-1