diethyl 2-[(1S,2R)-1-(4-bromophenyl)-2-(2-trimethylsilylethynyl)hexyl]propanedioate

Systemtic Name: diethyl 2-[(1S,2R)-1-(4-bromophenyl)-2-(2-trimethylsilylethynyl)hexyl]propanedioate Openeye Name: diethyl 2-[(1S,2R)-1-(4-bromophenyl)-2-(2-trimethylsilylethynyl)hexyl]propanedioate CAS Name: 2-[(1S,2R)-1-(4-bromophenyl)-2-(2-trimethylsilylethynyl)hexyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S,2R)-1-(4-bromophenyl)-2-(2-trimethylsilylethynyl)hexyl]propanedioate Traditional Name: 2-[(1S,2R)-1-(4-bromophenyl)-2-butyl-4-trimethylsilyl-but-3-ynyl]malonic acid diethyl ester Formula: C24H35BrO4Si MolecularWeight: 495.5218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#C[Si](C)(C)C)C(C1=CC=C(C=C1)Br)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC[C@@H](C#C[Si](C)(C)C)[C@H](C1=CC=C(C=C1)Br)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C24H35BrO4Si/c1-7-10-11-18(16-17-30(4,5)6)21(19-12-14-20(25)15-13-19)22(23(26)28-8-2)24(27)29-9-3/h12-15,18,21-22H,7-11H2,1-6H3/t18-,21+/m0/s1