(E)-7-[2-(2,2-dimethylbutanoyloxymethyl)-4,6-dimethyl-phenyl]-5-oxidanyl-2-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[2-(2,2-dimethylbutanoyloxymethyl)-4,6-dimethyl-phenyl]-5-oxidanyl-2-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[2-(2,2-dimethylbutanoyloxymethyl)-4,6-dimethyl-phenyl]-5-hydroxy-2-oxo-hept-6-enoic acid CAS Name: (E)-7-[2-[(2,2-dimethyl-1-oxobutoxy)methyl]-4,6-dimethylphenyl]-5-hydroxy-2-oxo-6-heptenoic acid IUPAC Name: (E)-7-[2-(2,2-dimethylbutanoyloxymethyl)-4,6-dimethylphenyl]-5-hydroxy-2-oxohept-6-enoic acid Traditional Name: (E)-7-[2-(2,2-dimethylbutanoyloxymethyl)-4,6-dimethyl-phenyl]-5-hydroxy-2-keto-hept-6-enoic acid Formula: C22H30O6 MolecularWeight: 390.47

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC1=CC(=CC(=C1C=CC(CCC(=O)C(=O)O)O)C)C

Isomeric SMILES

CCC(C)(C)C(=O)OCC1=CC(=CC(=C1/C=C/C(CCC(=O)C(=O)O)O)C)C

InChI

InChI=1S/C22H30O6/c1-6-22(4,5)21(27)28-13-16-12-14(2)11-15(3)18(16)9-7-17(23)8-10-19(24)20(25)26/h7,9,11-12,17,23H,6,8,10,13H2,1-5H3,(H,25,26)/b9-7+