1,4-bis(oxidanyl)butyl prop-2-enoate; 3-oxidanylidenebutanoate

Systemtic Name: 1,4-bis(oxidanyl)butyl prop-2-enoate; 3-oxidanylidenebutanoate Openeye Name: 1,4-dihydroxybutyl prop-2-enoate; 3-oxobutanoate CAS Name: 3-oxobutanoate; 2-propenoic acid 1,4-dihydroxybutyl ester IUPAC Name: 1,4-dihydroxybutyl prop-2-enoate; 3-oxobutanoate Traditional Name: acetoacetate; acrylic acid 1,4-dihydroxybutyl ester Formula: C11H17O7- MolecularWeight: 261.24848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)[O-].C=CC(=O)OC(CCCO)O

Isomeric SMILES

CC(=O)CC(=O)[O-].C=CC(=O)OC(CCCO)O

InChI

InChI=1S/C7H12O4.C4H6O3/c1-2-6(9)11-7(10)4-3-5-8;1-3(5)2-4(6)7/h2,7-8,10H,1,3-5H2;2H2,1H3,(H,6,7)/p-1