(2E,5Z)-2,6-dimethyl-4-(3-oxidanylpropyl)hepta-2,5-dienedioate

Systemtic Name: (2E,5Z)-2,6-dimethyl-4-(3-oxidanylpropyl)hepta-2,5-dienedioate Openeye Name: (2E,5Z)-4-(3-hydroxypropyl)-2,6-dimethyl-hepta-2,5-dienedioate CAS Name: (2E,5Z)-4-(3-hydroxypropyl)-2,6-dimethylhepta-2,5-dienedioate IUPAC Name: (2E,5Z)-4-(3-hydroxypropyl)-2,6-dimethylhepta-2,5-dienedioate Traditional Name: (2E,5Z)-4-(3-hydroxypropyl)-2,6-dimethyl-hepta-2,5-dienedioate Formula: C12H16O5-2 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C(CCCO)/C=C(/C)\C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C12H18O5/c1-8(11(14)15)6-10(4-3-5-13)7-9(2)12(16)17/h6-7,10,13H,3-5H2,1-2H3,(H,14,15)(H,16,17)/p-2/b8-6-,9-7+