(2E,5Z)-4-[2-(hydroxymethyl)-3-oxidanyl-propyl]-2,6-dimethyl-hepta-2,5-dienedioate

Systemtic Name: (2E,5Z)-4-[2-(hydroxymethyl)-3-oxidanyl-propyl]-2,6-dimethyl-hepta-2,5-dienedioate Openeye Name: (2E,5Z)-4-[3-hydroxy-2-(hydroxymethyl)propyl]-2,6-dimethyl-hepta-2,5-dienedioate CAS Name: (2E,5Z)-4-[3-hydroxy-2-(hydroxymethyl)propyl]-2,6-dimethylhepta-2,5-dienedioate IUPAC Name: (2E,5Z)-4-[3-hydroxy-2-(hydroxymethyl)propyl]-2,6-dimethylhepta-2,5-dienedioate Traditional Name: (2E,5Z)-4-(3-hydroxy-2-methylol-propyl)-2,6-dimethyl-hepta-2,5-dienedioate Formula: C13H18O6-2 MolecularWeight: 270.27842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O6/c1-8(12(16)17)3-10(4-9(2)13(18)19)5-11(6-14)7-15/h3-4,10-11,14-15H,5-7H2,1-2H3,(H,16,17)(H,18,19)/p-2/b8-3-,9-4+