2,3-dihydro-1-benzofuran-5-ylmethyl(triphenyl)phosphanium bromide

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl(triphenyl)phosphanium bromide Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl(triphenyl)phosphonium bromide CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl(triphenyl)phosphonium bromide IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl(triphenyl)phosphanium bromide Traditional Name: coumaran-5-ylmethyl(triphenyl)phosphonium bromide Formula: C27H24BrOP MolecularWeight: 475.356621

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H24OP.BrH/c1-4-10-24(11-5-1)29(25-12-6-2-7-13-25,26-14-8-3-9-15-26)21-22-16-17-27-23(20-22)18-19-28-27;/h1-17,20H,18-19,21H2;1H/q+1;/p-1