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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-6-methyl-3-oxidanylidene-2-prop-2-enyl-non-6-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-2-allyl-6-methyl-3-oxo-non-6-enoate CAS Name: (E)-6-methyl-3-oxo-2-prop-2-enyl-6-nonenoic 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)-6-methyl-3-oxo-2-prop-2-enylnon-6-enoate Traditional Name: (E)-2-allyl-3-keto-6-methyl-non-6-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C29H42O3 MolecularWeight: 438.64198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O3/c1-7-12-21(3)17-19-26(30)24(13-8-2)28(31)32-27-20-22(4)16-18-25(27)29(5,6)23-14-10-9-11-15-23/h8-12,14-15,22,24-25,27H,2,7,13,16-20H2,1,3-6H3/b21-12+/t22-,24?,25-,27-/m1/s1