[(2S)-2-(acetyloxymethyl)butyl]-triphenyl-phosphanium iodide

Systemtic Name: [(2S)-2-(acetyloxymethyl)butyl]-triphenyl-phosphanium iodide Openeye Name: [(2S)-2-(acetoxymethyl)butyl]-triphenyl-phosphonium iodide CAS Name: [(2S)-2-(acetyloxymethyl)butyl]-triphenylphosphonium iodide IUPAC Name: [(2S)-2-(acetyloxymethyl)butyl]-triphenylphosphanium iodide Traditional Name: [(2S)-2-(acetoxymethyl)butyl]-triphenyl-phosphonium iodide Formula: C25H28IO2P MolecularWeight: 518.366851

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC[C@@H](COC(=O)C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C25H28O2P.HI/c1-3-22(19-27-21(2)26)20-28(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;/h4-18,22H,3,19-20H2,1-2H3;1H/q+1;/p-1/t22-;/m0./s1