4-(5-methylfuran-2-yl)butyl-triphenyl-phosphanium iodide

Systemtic Name: 4-(5-methylfuran-2-yl)butyl-triphenyl-phosphanium iodide Openeye Name: 4-(5-methyl-2-furyl)butyl-triphenyl-phosphonium iodide CAS Name: 4-(5-methyl-2-furanyl)butyl-triphenylphosphonium iodide IUPAC Name: 4-(5-methylfuran-2-yl)butyl-triphenylphosphanium iodide Traditional Name: 4-(5-methyl-2-furyl)butyl-triphenyl-phosphonium iodide Formula: C27H28IOP MolecularWeight: 526.388851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=CC=C(O1)CCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H28OP.HI/c1-23-20-21-24(28-23)13-11-12-22-29(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-10,14-21H,11-13,22H2,1H3;1H/q+1;/p-1