tert-butyl 2-[(2S,5S)-1,2,5-triphenylphospholan-1-ium-1-yl]ethanoate bromide

Systemtic Name: tert-butyl 2-[(2S,5S)-1,2,5-triphenylphospholan-1-ium-1-yl]ethanoate bromide Openeye Name: tert-butyl 2-[(2S,5S)-1,2,5-triphenylphospholan-1-ium-1-yl]acetate bromide CAS Name: 2-[(2S,5S)-1,2,5-triphenyl-1-phospholan-1-iumyl]acetic acid tert-butyl ester bromide IUPAC Name: tert-butyl 2-[(2S,5S)-1,2,5-triphenylphospholan-1-ium-1-yl]acetate bromide Traditional Name: 2-[(2S,5S)-1,2,5-triphenylphospholan-1-ium-1-yl]acetic acid tert-butyl ester bromide Formula: C28H32BrO2P MolecularWeight: 511.430241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[P+]1(C(CCC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)C[P+]1([C@@H](CC[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H32O2P.BrH/c1-28(2,3)30-27(29)21-31(24-17-11-6-12-18-24)25(22-13-7-4-8-14-22)19-20-26(31)23-15-9-5-10-16-23;/h4-18,25-26H,19-21H2,1-3H3;1H/q+1;/p-1/t25-,26-;/m0./s1