(2E,5E)-4-oxidanyl-4-(pentoxymethyl)hepta-2,5-dienedioate

Systemtic Name: (2E,5E)-4-oxidanyl-4-(pentoxymethyl)hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-hydroxy-4-(pentoxymethyl)hepta-2,5-dienedioate CAS Name: (2E,5E)-4-hydroxy-4-(pentoxymethyl)hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-hydroxy-4-(pentoxymethyl)hepta-2,5-dienedioate Traditional Name: (2E,5E)-4-(amoxymethyl)-4-hydroxy-hepta-2,5-dienedioate Formula: C13H18O6-2 MolecularWeight: 270.27842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O6/c1-2-3-4-9-19-10-13(18,7-5-11(14)15)8-6-12(16)17/h5-8,18H,2-4,9-10H2,1H3,(H,14,15)(H,16,17)/p-2/b7-5+,8-6+