(3-methyl-3-oxidanyl-heptyl)-triphenyl-phosphanium iodide

Systemtic Name: (3-methyl-3-oxidanyl-heptyl)-triphenyl-phosphanium iodide Openeye Name: (3-hydroxy-3-methyl-heptyl)-triphenyl-phosphonium iodide CAS Name: (3-hydroxy-3-methylheptyl)-triphenylphosphonium iodide IUPAC Name: (3-hydroxy-3-methylheptyl)-triphenylphosphanium iodide Traditional Name: (3-hydroxy-3-methyl-heptyl)-triphenyl-phosphonium iodide Formula: C26H32IOP MolecularWeight: 518.409911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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