methyl 3,5-bis(oxidanylidene)-2-prop-2-enyl-hexanoate

Systemtic Name: methyl 3,5-bis(oxidanylidene)-2-prop-2-enyl-hexanoate Openeye Name: methyl 2-allyl-3,5-dioxo-hexanoate CAS Name: 3,5-dioxo-2-prop-2-enylhexanoic acid methyl ester IUPAC Name: methyl 3,5-dioxo-2-prop-2-enylhexanoate Traditional Name: 2-acetoacetylpent-4-enoic acid methyl ester Formula: C10H14O4 MolecularWeight: 198.21576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O4/c1-4-5-8(10(13)14-3)9(12)6-7(2)11/h4,8H,1,5-6H2,2-3H3