(4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphanium

Systemtic Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphanium Openeye Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphonium CAS Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenylphosphonium IUPAC Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenylphosphanium Traditional Name: (4-mesyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphonium Formula: C27H24O4PS+ MolecularWeight: 475.515821

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24O4PS/c1-33(28,29)27-21(17-18-25-26(27)31-20-30-25)19-32(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-18H,19-20H2,1H3/q+1