[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3R)-5-phenyl-3-tributylstannyl-pentanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3R)-5-phenyl-3-tributylstannyl-pentanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (3R)-5-phenyl-3-tributylstannyl-pentanoate CAS Name: (3R)-5-phenyl-3-tributylstannylpentanoic 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] (3R)-5-phenyl-3-tributylstannylpentanoate Traditional Name: (3R)-5-phenyl-3-tributylstannyl-valeric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C39H62O2Sn MolecularWeight: 681.61838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C(CCC1=CC=CC=C1)CC(=O)OC2CC(CCC2C(C)(C)C3=CC=CC=C3)C

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)[C@H](CCC1=CC=CC=C1)CC(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C

InChI

InChI=1S/C27H35O2.3C4H9.Sn/c1-21-18-19-24(27(2,3)23-15-8-5-9-16-23)25(20-21)29-26(28)17-11-10-14-22-12-6-4-7-13-22;3*1-3-4-2;/h4-9,11-13,15-16,21,24-25H,10,14,17-20H2,1-3H3;3*1,3-4H2,2H3;/t21-,24-,25-;;;;/m1..../s1