[(E)-4,4-diethoxy-2-methyl-but-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-4,4-diethoxy-2-methyl-but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-4,4-diethoxy-2-methyl-but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-4,4-diethoxy-2-methylbut-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-4,4-diethoxy-2-methylbut-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-4,4-diethoxy-2-methyl-but-2-enyl]-triphenyl-phosphonium bromide Formula: C27H32BrO2P MolecularWeight: 499.419541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C=C(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OCC.[Br-]

Isomeric SMILES

CCOC(/C=C(\C)/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OCC.[Br-]

InChI

InChI=1S/C27H32O2P.BrH/c1-4-28-27(29-5-2)21-23(3)22-30(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26;/h6-21,27H,4-5,22H2,1-3H3;1H/q+1;/p-1/b23-21+;