(2E,5E)-4-[2,2-bis(hydroxymethyl)-1-methoxy-3-oxidanyl-propyl]hepta-2,5-dienedioate

Systemtic Name: (2E,5E)-4-[2,2-bis(hydroxymethyl)-1-methoxy-3-oxidanyl-propyl]hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-[3-hydroxy-2,2-bis(hydroxymethyl)-1-methoxy-propyl]hepta-2,5-dienedioate CAS Name: (2E,5E)-4-[3-hydroxy-2,2-bis(hydroxymethyl)-1-methoxypropyl]hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-[3-hydroxy-2,2-bis(hydroxymethyl)-1-methoxypropyl]hepta-2,5-dienedioate Traditional Name: (2E,5E)-4-(3-hydroxy-1-methoxy-2,2-dimethylol-propyl)hepta-2,5-dienedioate Formula: C13H18O8-2 MolecularWeight: 302.27722

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C=CC(=O)[O-])C=CC(=O)[O-])C(CO)(CO)CO

Isomeric SMILES

COC(C(CO)(CO)CO)C(/C=C/C(=O)[O-])/C=C/C(=O)[O-]

InChI

InChI=1S/C13H20O8/c1-21-12(13(6-14,7-15)8-16)9(2-4-10(17)18)3-5-11(19)20/h2-5,9,12,14-16H,6-8H2,1H3,(H,17,18)(H,19,20)/p-2/b4-2+,5-3+