(E)-2,5,5-trimethyl-3-(3-oxidanylidenebutanoyloxy)hex-2-enoate

Systemtic Name: (E)-2,5,5-trimethyl-3-(3-oxidanylidenebutanoyloxy)hex-2-enoate Openeye Name: (E)-2,5,5-trimethyl-3-(3-oxobutanoyloxy)hex-2-enoate CAS Name: (E)-3-(1,3-dioxobutoxy)-2,5,5-trimethyl-2-hexenoate IUPAC Name: (E)-2,5,5-trimethyl-3-(3-oxobutanoyloxy)hex-2-enoate Traditional Name: (E)-3-acetoacetyloxy-2,5,5-trimethyl-hex-2-enoate Formula: C13H19O5- MolecularWeight: 255.28696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)CC(=O)O/C(=C(\C)/C(=O)[O-])/CC(C)(C)C

InChI

InChI=1S/C13H20O5/c1-8(14)6-11(15)18-10(7-13(3,4)5)9(2)12(16)17/h6-7H2,1-5H3,(H,16,17)/p-1/b10-9+