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

Systemtic Name: dimethyl 2-but-3-enyl-2-[(E)-4-oxidanylbut-2-enyl]propanedioate Openeye Name: dimethyl 2-but-3-enyl-2-[(E)-4-hydroxybut-2-enyl]propanedioate CAS Name: 2-but-3-enyl-2-[(E)-4-hydroxybut-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-but-3-enyl-2-[(E)-4-hydroxybut-2-enyl]propanedioate Traditional Name: 2-but-3-enyl-2-[(E)-4-hydroxybut-2-enyl]malonic acid dimethyl ester Formula: C13H20O5 MolecularWeight: 256.2949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O5/c1-4-5-8-13(11(15)17-2,12(16)18-3)9-6-7-10-14/h4,6-7,14H,1,5,8-10H2,2-3H3/b7-6+