triphenyl(17-phenylmethoxyheptadecyl)phosphanium bromide

Systemtic Name: triphenyl(17-phenylmethoxyheptadecyl)phosphanium bromide Openeye Name: 17-benzyloxyheptadecyl(triphenyl)phosphonium bromide CAS Name: triphenyl(17-phenylmethoxyheptadecyl)phosphonium bromide IUPAC Name: triphenyl(17-phenylmethoxyheptadecyl)phosphanium bromide Traditional Name: 17-benzoxyheptadecyl(triphenyl)phosphonium bromide Formula: C42H56BrOP MolecularWeight: 687.771201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C42H56OP.BrH/c1(2-4-6-8-10-12-26-36-43-38-39-28-18-14-19-29-39)3-5-7-9-11-13-27-37-44(40-30-20-15-21-31-40,41-32-22-16-23-33-41)42-34-24-17-25-35-42;/h14-25,28-35H,1-13,26-27,36-38H2;1H/q+1;/p-1