4-(2-ethylhexoxy)-3-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 4-(2-ethylhexoxy)-3-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 4-(2-ethylhexoxy)-3-hydroxy-4-oxo-butanoate CAS Name: 4-(2-ethylhexoxy)-3-hydroxy-4-oxobutanoate IUPAC Name: 4-(2-ethylhexoxy)-3-hydroxy-4-oxobutanoate Traditional Name: 4-(2-ethylhexoxy)-3-hydroxy-4-keto-butyrate Formula: C12H21O5- MolecularWeight: 245.29214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O5/c1-3-5-6-9(4-2)8-17-12(16)10(13)7-11(14)15/h9-10,13H,3-8H2,1-2H3,(H,14,15)/p-1