4-(2,2-dimethyl-3-oxidanyl-propoxy)-4-oxidanylidene-butanoate

Systemtic Name: 4-(2,2-dimethyl-3-oxidanyl-propoxy)-4-oxidanylidene-butanoate Openeye Name: 4-(3-hydroxy-2,2-dimethyl-propoxy)-4-oxo-butanoate CAS Name: 4-(3-hydroxy-2,2-dimethylpropoxy)-4-oxobutanoate IUPAC Name: 4-(3-hydroxy-2,2-dimethylpropoxy)-4-oxobutanoate Traditional Name: 4-(3-hydroxy-2,2-dimethyl-propoxy)-4-keto-butyrate Formula: C9H15O5- MolecularWeight: 203.2124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC(=O)CCC(=O)[O-]

Isomeric SMILES

CC(C)(CO)COC(=O)CCC(=O)[O-]

InChI

InChI=1S/C9H16O5/c1-9(2,5-10)6-14-8(13)4-3-7(11)12/h10H,3-6H2,1-2H3,(H,11,12)/p-1