[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enyl]-triphenyl-phosphonium bromide Formula: C30H28BrO2P MolecularWeight: 531.419881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5.[Br-]

Isomeric SMILES

C/C(=C\C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC5=C(C=C4)OCCO5.[Br-]

InChI

InChI=1S/C30H28O2P.BrH/c1-24(25-17-18-29-30(23-25)32-21-20-31-29)19-22-33(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;/h2-19,23H,20-22H2,1H3;1H/q+1;/p-1/b24-19+;