[(1R,3S)-2-deuterio-5-trimethylstannyl-2-adamantyl] 4-bromanylbenzenesulfonate

Systemtic Name: [(1R,3S)-2-deuterio-5-trimethylstannyl-2-adamantyl] 4-bromanylbenzenesulfonate Openeye Name: [(1R,3S)-2-deuterio-5-trimethylstannyl-2-adamantyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(1R,3S)-2-deuterio-5-trimethylstannyl-2-adamantyl] ester IUPAC Name: [(1R,3S)-2-deuterio-5-trimethylstannyl-2-adamantyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(1R,3S)-2-deuterio-5-trimethylstannyl-2-adamantyl] ester Formula: C19H27BrO3SSn MolecularWeight: 535.101042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[Sn](C)(C)C12CC3CC(C1)C(C(C3)C2)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

[2H]C1([C@@H]2CC3C[C@H]1CC(C2)(C3)[Sn](C)(C)C)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C16H18BrO3S.3CH3.Sn/c17-14-1-3-15(4-2-14)21(18,19)20-16-12-6-10-5-11(8-12)9-13(16)7-10;;;;/h1-4,10,12-13,16H,5-9H2;3*1H3;/t10?,12-,13+,16?;;;;/i16D;;;;