[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (9Z,11E)-octadeca-9,11-dienoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (9Z,11E)-octadeca-9,11-dienoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (9Z,11E)-octadeca-9,11-dienoate CAS Name: (9Z,11E)-octadeca-9,11-dienoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (9Z,11E)-octadeca-9,11-dienoate Traditional Name: (9Z,11E)-octadeca-9,11-dienoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H50O2 MolecularWeight: 418.6954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC=CCCCCCCCC(=O)OC1CC(CCC1C(C)C)C

Isomeric SMILES

CCCCCC/C=C/C=C\CCCCCCCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C

InChI

InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27-23-25(4)21-22-26(27)24(2)3/h10-13,24-27H,5-9,14-23H2,1-4H3/b11-10+,13-12-/t25-,26+,27-/m1/s1