1-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-triphenyl-phosphanium

Systemtic Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-triphenyl-phosphanium Openeye Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-triphenyl-phosphonium CAS Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-triphenylphosphonium IUPAC Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-triphenylphosphanium Traditional Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-triphenyl-phosphonium Formula: C29H28O2P+ MolecularWeight: 439.505181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(O2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(O2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28O2P/c1-22(23-19-20-27-28(21-23)31-29(2,3)30-27)32(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22H,1-3H3/q+1