(6-methyl-1,3-benzodioxol-4-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (6-methyl-1,3-benzodioxol-4-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (6-methyl-1,3-benzodioxol-4-yl)methyl-triphenyl-phosphonium bromide CAS Name: (6-methyl-1,3-benzodioxol-4-yl)methyl-triphenylphosphonium bromide IUPAC Name: (6-methyl-1,3-benzodioxol-4-yl)methyl-triphenylphosphanium bromide Traditional Name: (6-methyl-1,3-benzodioxol-4-yl)methyl-triphenyl-phosphonium bromide Formula: C27H24BrO2P MolecularWeight: 491.356021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OCO2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC(=C2C(=C1)OCO2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H24O2P.BrH/c1-21-17-22(27-26(18-21)28-20-29-27)19-30(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-18H,19-20H2,1H3;1H/q+1;/p-1