2-methylidene-3,3-bis(oxidanyl)hexanoate; 3-oxidanylidenebutanoate

Systemtic Name: 2-methylidene-3,3-bis(oxidanyl)hexanoate; 3-oxidanylidenebutanoate Openeye Name: 3,3-dihydroxy-2-methylene-hexanoate; 3-oxobutanoate CAS Name: 3,3-dihydroxy-2-methylenehexanoate; 3-oxobutanoate IUPAC Name: 3,3-dihydroxy-2-methylidenehexanoate; 3-oxobutanoate Traditional Name: acetoacetate; 2-(1,1-dihydroxybutyl)acrylate Formula: C11H16O7-2 MolecularWeight: 260.24054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=C)C(=O)[O-])(O)O.CC(=O)CC(=O)[O-]

Isomeric SMILES

CCCC(C(=C)C(=O)[O-])(O)O.CC(=O)CC(=O)[O-]

InChI

InChI=1S/C7H12O4.C4H6O3/c1-3-4-7(10,11)5(2)6(8)9;1-3(5)2-4(6)7/h10-11H,2-4H2,1H3,(H,8,9);2H2,1H3,(H,6,7)/p-2