[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-oxidanylidene-2-prop-2-enyl-dec-7-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-oxidanylidene-2-prop-2-enyl-dec-7-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-2-allyl-3-oxo-dec-7-enoate CAS Name: (E)-3-oxo-2-prop-2-enyl-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-oxo-2-prop-2-enyldec-7-enoate Traditional Name: (E)-2-allyl-3-keto-dec-7-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=CCCCC(=O)C(CC=C)C(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C

Isomeric SMILES

CC/C=C/CCCC(=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/c1-6-8-9-10-14-18-26(30)24(15-7-2)28(31)32-27-21-22(3)19-20-25(27)29(4,5)23-16-12-11-13-17-23/h7-9,11-13,16-17,22,24-25,27H,2,6,10,14-15,18-21H2,1,3-5H3/b9-8+/t22-,24?,25-,27-/m1/s1