dimethyl 2-[(E)-4-oxidanylbut-2-enyl]-2-(3-oxidanylidenebutyl)propanedioate

Systemtic Name: dimethyl 2-[(E)-4-oxidanylbut-2-enyl]-2-(3-oxidanylidenebutyl)propanedioate Openeye Name: dimethyl 2-[(E)-4-hydroxybut-2-enyl]-2-(3-oxobutyl)propanedioate CAS Name: 2-[(E)-4-hydroxybut-2-enyl]-2-(3-oxobutyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-hydroxybut-2-enyl]-2-(3-oxobutyl)propanedioate Traditional Name: 2-[(E)-4-hydroxybut-2-enyl]-2-(3-ketobutyl)malonic acid dimethyl ester Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CC=CCO)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)CCC(C/C=C/CO)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H20O6/c1-10(15)6-8-13(11(16)18-2,12(17)19-3)7-4-5-9-14/h4-5,14H,6-9H2,1-3H3/b5-4+