methyl 6-[6-(hydroxymethyl)-4-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]pyran-3-yl]oxyhexanoate

Systemtic Name: methyl 6-[6-(hydroxymethyl)-4-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]pyran-3-yl]oxyhexanoate Openeye Name: methyl 6-[6-(hydroxymethyl)-2-[(E)-3-hydroxyoct-1-enyl]-4-oxo-pyran-3-yl]oxyhexanoate CAS Name: 6-[[6-(hydroxymethyl)-2-[(E)-3-hydroxyoct-1-enyl]-4-oxo-3-pyranyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[6-(hydroxymethyl)-2-[(E)-3-hydroxyoct-1-enyl]-4-oxopyran-3-yl]oxyhexanoate Traditional Name: 6-[2-[(E)-3-hydroxyoct-1-enyl]-4-keto-6-methylol-pyran-3-yl]oxyhexanoic acid methyl ester Formula: C21H32O7 MolecularWeight: 396.47458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=C(C(=O)C=C(O1)CO)OCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(/C=C/C1=C(C(=O)C=C(O1)CO)OCCCCCC(=O)OC)O

InChI

InChI=1S/C21H32O7/c1-3-4-6-9-16(23)11-12-19-21(18(24)14-17(15-22)28-19)27-13-8-5-7-10-20(25)26-2/h11-12,14,16,22-23H,3-10,13,15H2,1-2H3/b12-11+