[(3S)-3-methyl-4-(phenylcarbonyloxy)butyl]-triphenyl-phosphanium iodide

Systemtic Name: [(3S)-3-methyl-4-(phenylcarbonyloxy)butyl]-triphenyl-phosphanium iodide Openeye Name: [(3S)-4-benzoyloxy-3-methyl-butyl]-triphenyl-phosphonium iodide CAS Name: [(3S)-4-benzoyloxy-3-methylbutyl]-triphenylphosphonium iodide IUPAC Name: [(3S)-4-benzoyloxy-3-methylbutyl]-triphenylphosphanium iodide Traditional Name: [(3S)-4-benzoyloxy-3-methyl-butyl]-triphenyl-phosphonium iodide Formula: C30H30IO2P MolecularWeight: 580.436231

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[C@@H](CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C30H30O2P.HI/c1-25(24-32-30(31)26-14-6-2-7-15-26)22-23-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29;/h2-21,25H,22-24H2,1H3;1H/q+1;/p-1/t25-;/m0./s1