bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R,3S)-2-(3-phenylpropanoyl)-3-[(S)-phenylselanyl(trimethylsilyl)methyl]cyclopropane-1,1-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R,3S)-2-(3-phenylpropanoyl)-3-[(S)-phenylselanyl(trimethylsilyl)methyl]cyclopropane-1,1-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R,3S)-2-(3-phenylpropanoyl)-3-[(S)-phenylselanyl(trimethylsilyl)methyl]cyclopropane-1,1-dicarboxylate CAS Name: (2R,3S)-2-(1-oxo-3-phenylpropyl)-3-[(S)-(phenylseleno)-trimethylsilylmethyl]cyclopropane-1,1-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2-(3-phenylpropanoyl)-3-[(S)-phenylselanyl(trimethylsilyl)methyl]cyclopropane-1,1-dicarboxylate Traditional Name: (2R,3S)-2-hydrocinnamoyl-3-[(S)-(phenylseleno)-trimethylsilyl-methyl]cyclopropane-1,1-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C44H64O5SeSi MolecularWeight: 780.02146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(C(C2C(=O)CCC3=CC=CC=C3)C([Si](C)(C)C)[Se]C4=CC=CC=C4)C(=O)OC5CC(CCC5C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2([C@H]([C@H]2C(=O)CCC3=CC=CC=C3)[C@@H]([Si](C)(C)C)[Se]C4=CC=CC=C4)C(=O)O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)C(C)C

InChI

InChI=1S/C44H64O5SeSi/c1-28(2)34-23-20-30(5)26-37(34)48-42(46)44(43(47)49-38-27-31(6)21-24-35(38)29(3)4)39(36(45)25-22-32-16-12-10-13-17-32)40(44)41(51(7,8)9)50-33-18-14-11-15-19-33/h10-19,28-31,34-35,37-41H,20-27H2,1-9H3/t30-,31-,34+,35+,37-,38-,39-,40-,41-/m1/s1