(E)-2-methyl-3-(3-oxidanylidenebutanoyloxy)but-2-enoic acid

Systemtic Name: (E)-2-methyl-3-(3-oxidanylidenebutanoyloxy)but-2-enoic acid Openeye Name: (E)-2-methyl-3-(3-oxobutanoyloxy)but-2-enoic acid CAS Name: (E)-3-(1,3-dioxobutoxy)-2-methyl-2-butenoic acid IUPAC Name: (E)-2-methyl-3-(3-oxobutanoyloxy)but-2-enoic acid Traditional Name: (E)-3-acetoacetyloxy-2-methyl-but-2-enoic acid Formula: C9H12O5 MolecularWeight: 200.18858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC(=C(C)C(=O)O)C

Isomeric SMILES

CC(=O)CC(=O)O/C(=C(\C)/C(=O)O)/C

InChI

InChI=1S/C9H12O5/c1-5(10)4-8(11)14-7(3)6(2)9(12)13/h4H2,1-3H3,(H,12,13)/b7-6+