[2-[[(E)-but-2-enoyl]oxymethyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] (E)-but-2-enoate

Systemtic Name: [2-[[(E)-but-2-enoyl]oxymethyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] (E)-but-2-enoate Openeye Name: [2-[[(E)-but-2-enoyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2,2-bis(hydroxymethyl)-3-[(E)-1-oxobut-2-enoxy]propyl] ester IUPAC Name: [2-[[(E)-but-2-enoyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[[(E)-but-2-enoyl]oxymethyl]-3-hydroxy-2-methylol-propyl] ester Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(CO)(CO)COC(=O)C=CC

Isomeric SMILES

C/C=C/C(=O)OCC(COC(=O)/C=C/C)(CO)CO

InChI

InChI=1S/C13H20O6/c1-3-5-11(16)18-9-13(7-14,8-15)10-19-12(17)6-4-2/h3-6,14-15H,7-10H2,1-2H3/b5-3+,6-4+