ethyl 6-[6-(2,2-dimethylpropanoyloxymethyl)-4-oxidanylidene-2-[(E)-3-oxidanylideneoct-1-enyl]pyran-3-yl]oxyhexanoate

Systemtic Name: ethyl 6-[6-(2,2-dimethylpropanoyloxymethyl)-4-oxidanylidene-2-[(E)-3-oxidanylideneoct-1-enyl]pyran-3-yl]oxyhexanoate Openeye Name: ethyl 6-[6-(2,2-dimethylpropanoyloxymethyl)-4-oxo-2-[(E)-3-oxooct-1-enyl]pyran-3-yl]oxyhexanoate CAS Name: 6-[[6-[(2,2-dimethyl-1-oxopropoxy)methyl]-4-oxo-2-[(E)-3-oxooct-1-enyl]-3-pyranyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[6-(2,2-dimethylpropanoyloxymethyl)-4-oxo-2-[(E)-3-oxooct-1-enyl]pyran-3-yl]oxyhexanoate Traditional Name: 6-[4-keto-2-[(E)-3-ketooct-1-enyl]-6-(pivaloyloxymethyl)pyran-3-yl]oxyhexanoic acid ethyl ester Formula: C27H40O8 MolecularWeight: 492.6017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=C(C(=O)C=C(O1)COC(=O)C(C)(C)C)OCCCCCC(=O)OCC

Isomeric SMILES

CCCCCC(=O)/C=C/C1=C(C(=O)C=C(O1)COC(=O)C(C)(C)C)OCCCCCC(=O)OCC

InChI

InChI=1S/C27H40O8/c1-6-8-10-13-20(28)15-16-23-25(33-17-12-9-11-14-24(30)32-7-2)22(29)18-21(35-23)19-34-26(31)27(3,4)5/h15-16,18H,6-14,17,19H2,1-5H3/b16-15+