[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxidanylidene-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate

Systemtic Name: [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxidanylidene-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate Openeye Name: [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(2R,6R)-2-(1-cyclohexenylmethyl)-5-oxo-2H-pyran-6-yl]methyl ester IUPAC Name: [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-keto-2H-pyran-6-yl]methyl ester Formula: C31H50O4 MolecularWeight: 486.7263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC1C(=O)C=CC(O1)CC2=CCCCC2

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1C(=O)C=C[C@H](O1)CC2=CCCCC2

InChI

InChI=1S/C31H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(33)34-26-30-29(32)24-23-28(35-30)25-27-20-17-16-18-21-27/h9-10,20,23-24,28,30H,2-8,11-19,21-22,25-26H2,1H3/b10-9-/t28-,30+/m0/s1