(2,2,4-trimethyl-3-oxidanyl-pentyl) 3-oxidanylidenebutanoate

Systemtic Name: (2,2,4-trimethyl-3-oxidanyl-pentyl) 3-oxidanylidenebutanoate Openeye Name: (3-hydroxy-2,2,4-trimethyl-pentyl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid (3-hydroxy-2,2,4-trimethylpentyl) ester IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 3-oxobutanoate Traditional Name: 3-ketobutyric acid (3-hydroxy-2,2,4-trimethyl-pentyl) ester Formula: C12H22O4 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)COC(=O)CC(=O)C)O

Isomeric SMILES

CC(C)C(C(C)(C)COC(=O)CC(=O)C)O

InChI

InChI=1S/C12H22O4/c1-8(2)11(15)12(4,5)7-16-10(14)6-9(3)13/h8,11,15H,6-7H2,1-5H3