[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2E)-7-iodanyl-2-methyl-octa-2,7-dienoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2E)-7-iodanyl-2-methyl-octa-2,7-dienoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2E)-7-iodo-2-methyl-octa-2,7-dienoate CAS Name: (2E)-7-iodo-2-methylocta-2,7-dienoic 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] (2E)-7-iodo-2-methylocta-2,7-dienoate Traditional Name: (2E)-7-iodo-2-methyl-octa-2,7-dienoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C25H35IO2 MolecularWeight: 494.44867

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CCCCC(=C)I)C)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C(=C/CCCC(=C)I)/C)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C25H35IO2/c1-18-15-16-22(25(4,5)21-13-7-6-8-14-21)23(17-18)28-24(27)19(2)11-9-10-12-20(3)26/h6-8,11,13-14,18,22-23H,3,9-10,12,15-17H2,1-2,4-5H3/b19-11+/t18-,22-,23-/m1/s1