[(3S,7R)-3,7-dimethyl-3,8-bis(phenylmethoxy)octyl]-triphenyl-phosphanium iodide

Systemtic Name: [(3S,7R)-3,7-dimethyl-3,8-bis(phenylmethoxy)octyl]-triphenyl-phosphanium iodide Openeye Name: [(3S,7R)-3,8-dibenzyloxy-3,7-dimethyl-octyl]-triphenyl-phosphonium iodide CAS Name: [(3S,7R)-3,7-dimethyl-3,8-bis(phenylmethoxy)octyl]-triphenylphosphonium iodide IUPAC Name: [(3S,7R)-3,7-dimethyl-3,8-bis(phenylmethoxy)octyl]-triphenylphosphanium iodide Traditional Name: [(3S,7R)-3,8-dibenzoxy-3,7-dimethyl-octyl]-triphenyl-phosphonium iodide Formula: C42H48IO2P MolecularWeight: 742.707551

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5.[I-]

Isomeric SMILES

C[C@H](CCC[C@@](C)(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5.[I-]

InChI

InChI=1S/C42H48O2P.HI/c1-36(33-43-34-37-20-8-3-9-21-37)19-18-30-42(2,44-35-38-22-10-4-11-23-38)31-32-45(39-24-12-5-13-25-39,40-26-14-6-15-27-40)41-28-16-7-17-29-41;/h3-17,20-29,36H,18-19,30-35H2,1-2H3;1H/q+1;/p-1/t36-,42+;/m1./s1