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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC1C=CC(=O)C(O1)C2CCCC=C2C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1C=CC(=O)[C@H](O1)C2CCCC=C2C

InChI

InChI=1S/C31H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30(33)34-25-27-23-24-29(32)31(35-27)28-21-19-18-20-26(28)2/h10-11,20,23-24,27-28,31H,3-9,12-19,21-22,25H2,1-2H3/b11-10-/t27-,28?,31+/m0/s1