[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-oxidanylidenedec-7-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-oxidanylidenedec-7-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-3-oxodec-7-enoate CAS Name: (E)-3-oxo-7-decenoic 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)-3-oxodec-7-enoate Traditional Name: (E)-3-ketodec-7-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCC(=O)CC(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C26H38O3/c1-5-6-7-8-12-15-22(27)19-25(28)29-24-18-20(2)16-17-23(24)26(3,4)21-13-10-9-11-14-21/h6-7,9-11,13-14,20,23-24H,5,8,12,15-19H2,1-4H3/b7-6+/t20-,23-,24-/m1/s1