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

Systemtic Name: ethyl 2-[(2S,5S)-1,2,5-triphenylphospholan-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 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 ethyl ester bromide IUPAC Name: ethyl 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 ethyl ester bromide Formula: C26H28BrO2P MolecularWeight: 483.377081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H28O2P.BrH/c1-2-28-26(27)20-29(23-16-10-5-11-17-23)24(21-12-6-3-7-13-21)18-19-25(29)22-14-8-4-9-15-22;/h3-17,24-25H,2,18-20H2,1H3;1H/q+1;/p-1/t24-,25-;/m0./s1