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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2R)-2-oxidanyloctadec-3-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E,2R)-2-hydroxyoctadec-3-enoate CAS Name: (E,2R)-2-hydroxy-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,2R)-2-hydroxyoctadec-3-enoate Traditional Name: (E,2R)-2-hydroxyoctadec-3-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C34H56O3 MolecularWeight: 512.80664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56O3/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/h18-24,28,30-32,35H,5-17,25-27H2,1-4H3/b24-21+/t28-,30-,31-,32-/m1/s1