(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl)methyl-triphenyl-phosphonium bromide CAS Name: (2,2-dimethyl-3H-benzofuran-7-yl)methyl-triphenylphosphonium bromide IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-triphenylphosphanium bromide Traditional Name: (2,2-dimethylcoumaran-7-yl)methyl-triphenyl-phosphonium bromide Formula: C29H28BrOP MolecularWeight: 503.409781

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Br-]

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Br-]

InChI

InChI=1S/C29H28OP.BrH/c1-29(2)21-23-13-12-14-24(28(23)30-29)22-31(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27;/h3-20H,21-22H2,1-2H3;1H/q+1;/p-1