5-(bromomethyl)-4-methylsulfonyl-1,3-benzodioxole; triphenylphosphanium

Systemtic Name: 5-(bromomethyl)-4-methylsulfonyl-1,3-benzodioxole; triphenylphosphanium Openeye Name: 5-(bromomethyl)-4-methylsulfonyl-1,3-benzodioxole; triphenylphosphonium CAS Name: 5-(bromomethyl)-4-methylsulfonyl-1,3-benzodioxole; triphenylphosphonium IUPAC Name: 5-(bromomethyl)-4-methylsulfonyl-1,3-benzodioxole; triphenylphosphanium Traditional Name: 5-(bromomethyl)-4-mesyl-1,3-benzodioxole; triphenylphosphonium Formula: C27H25BrO4PS+ MolecularWeight: 556.427761

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC2=C1OCO2)CBr.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC2=C1OCO2)CBr.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15P.C9H9BrO4S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(11,12)9-6(4-10)2-3-7-8(9)14-5-13-7/h1-15H;2-3H,4-5H2,1H3/p+1