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

Systemtic Name: 3,4-dimethylhexane; 6-(2-hydroxyethyloxy)-6-oxidanylidene-hexanoate Openeye Name: 3,4-dimethylhexane; 6-(2-hydroxyethoxy)-6-oxo-hexanoate CAS Name: 3,4-dimethylhexane; 6-(2-hydroxyethoxy)-6-oxohexanoate IUPAC Name: 3,4-dimethylhexane; 6-(2-hydroxyethoxy)-6-oxohexanoate Traditional Name: 3,4-dimethylhexane; 6-(2-hydroxyethoxy)-6-keto-hexanoate Formula: C16H31O5- MolecularWeight: 303.41434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)CC.C(CCC(=O)OCCO)CC(=O)[O-]

Isomeric SMILES

CCC(C)C(C)CC.C(CCC(=O)OCCO)CC(=O)[O-]

InChI

InChI=1S/C8H14O5.C8H18/c9-5-6-13-8(12)4-2-1-3-7(10)11;1-5-7(3)8(4)6-2/h9H,1-6H2,(H,10,11);7-8H,5-6H2,1-4H3/p-1