[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-2-oxidanylideneoctadec-3-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-2-oxidanylideneoctadec-3-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-2-oxooctadec-3-enoate CAS Name: (E)-2-oxo-3-octadecenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-2-oxooctadec-3-enoate Traditional Name: (E)-2-ketooctadec-3-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C34H54O3 MolecularWeight: 510.79076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(=O)C(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(=O)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C

InChI

InChI=1S/C34H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31(35)33(36)37-32-27-28(2)25-26-30(32)34(3,4)29-22-19-18-20-23-29/h18-24,28,30,32H,5-17,25-27H2,1-4H3/b24-21+/t28-,30-,32-/m1/s1