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

Systemtic Name: (2E,5E)-4-[2-(hydroxymethyl)-3-oxidanyl-propyl]hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-[3-hydroxy-2-(hydroxymethyl)propyl]hepta-2,5-dienedioate CAS Name: (2E,5E)-4-[3-hydroxy-2-(hydroxymethyl)propyl]hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-[3-hydroxy-2-(hydroxymethyl)propyl]hepta-2,5-dienedioate Traditional Name: (2E,5E)-4-(3-hydroxy-2-methylol-propyl)hepta-2,5-dienedioate Formula: C11H14O6-2 MolecularWeight: 242.22526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O6/c12-6-9(7-13)5-8(1-3-10(14)15)2-4-11(16)17/h1-4,8-9,12-13H,5-7H2,(H,14,15)(H,16,17)/p-2/b3-1+,4-2+