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

Systemtic Name: (2E,5E)-4-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]hepta-2,5-dienedioate CAS Name: (2E,5E)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]hepta-2,5-dienedioate Traditional Name: (2E,5E)-4-(3-hydroxy-2,2-dimethylol-propyl)hepta-2,5-dienedioate Formula: C12H16O7-2 MolecularWeight: 272.25124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O7/c13-6-12(7-14,8-15)5-9(1-3-10(16)17)2-4-11(18)19/h1-4,9,13-15H,5-8H2,(H,16,17)(H,18,19)/p-2/b3-1+,4-2+