[(2R,3R,4S)-2,4-dimethyl-3-oxidanyl-hexyl]-triphenyl-phosphanium iodide

Systemtic Name: [(2R,3R,4S)-2,4-dimethyl-3-oxidanyl-hexyl]-triphenyl-phosphanium iodide Openeye Name: [(2R,3R,4S)-3-hydroxy-2,4-dimethyl-hexyl]-triphenyl-phosphonium iodide CAS Name: [(2R,3R,4S)-3-hydroxy-2,4-dimethylhexyl]-triphenylphosphonium iodide IUPAC Name: [(2R,3R,4S)-3-hydroxy-2,4-dimethylhexyl]-triphenylphosphanium iodide Traditional Name: [(2R,3R,4S)-3-hydroxy-2,4-dimethyl-hexyl]-triphenyl-phosphonium iodide Formula: C26H32IOP MolecularWeight: 520.402453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@H]([C@@H](C)[14CH2][P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C26H32OP.HI/c1-4-21(2)26(27)22(3)20-28(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25;/h5-19,21-22,26-27H,4,20H2,1-3H3;1H/q+1;/p-1/t21-,22-,26+;/m0./s1/i20+2;