[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-octadec-9-enoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-octadec-9-enoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H52O2 MolecularWeight: 420.71128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52O2/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/h12-13,24-27H,5-11,14-23H2,1-4H3/b13-12-/t25-,26+,27-/m0/s1