[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-2-methyl-3-oxidanylidene-dec-6-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-2-methyl-3-oxidanylidene-dec-6-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-2-methyl-3-oxo-dec-6-enoate CAS Name: (E)-2-methyl-3-oxo-6-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)-2-methyl-3-oxodec-6-enoate Traditional Name: (E)-3-keto-2-methyl-dec-6-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O3/c1-6-7-8-9-13-16-24(28)21(3)26(29)30-25-19-20(2)17-18-23(25)27(4,5)22-14-11-10-12-15-22/h8-12,14-15,20-21,23,25H,6-7,13,16-19H2,1-5H3/b9-8+/t20-,21?,23-,25-/m1/s1