dimethyl (2E,5Z)-4-(hydroxymethyl)-2,6-dimethyl-4-oxidanyl-hepta-2,5-dienedioate

Systemtic Name: dimethyl (2E,5Z)-4-(hydroxymethyl)-2,6-dimethyl-4-oxidanyl-hepta-2,5-dienedioate Openeye Name: dimethyl (2E,5Z)-4-hydroxy-4-(hydroxymethyl)-2,6-dimethyl-hepta-2,5-dienedioate CAS Name: (2E,5Z)-4-hydroxy-4-(hydroxymethyl)-2,6-dimethylhepta-2,5-dienedioic acid dimethyl ester IUPAC Name: dimethyl (2E,5Z)-4-hydroxy-4-(hydroxymethyl)-2,6-dimethylhepta-2,5-dienedioate Traditional Name: (2E,5Z)-4-hydroxy-2,6-dimethyl-4-methylol-hepta-2,5-dienedioic acid dimethyl ester Formula: C12H18O6 MolecularWeight: 258.26772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(CO)(C=C(C)C(=O)OC)O)C(=O)OC

Isomeric SMILES

C/C(=C\C(CO)(/C=C(/C)\C(=O)OC)O)/C(=O)OC

InChI

InChI=1S/C12H18O6/c1-8(10(14)17-3)5-12(16,7-13)6-9(2)11(15)18-4/h5-6,13,16H,7H2,1-4H3/b8-5-,9-6+