(2E,5E)-4-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]hepta-2,5-dienedioate

Systemtic Name: (2E,5E)-4-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]hepta-2,5-dienedioate CAS Name: (2E,5E)-4-(1,3-dihydroxy-2-methylpropan-2-yl)hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-(1,3-dihydroxy-2-methylpropan-2-yl)hepta-2,5-dienedioate Traditional Name: (2E,5E)-4-(2-hydroxy-1-methyl-1-methylol-ethyl)hepta-2,5-dienedioate Formula: C11H14O6-2 MolecularWeight: 242.22526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O6/c1-11(6-12,7-13)8(2-4-9(14)15)3-5-10(16)17/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)(H,16,17)/p-2/b4-2+,5-3+