4-bromanylbutyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate

Systemtic Name: 4-bromanylbutyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: 4-bromobutyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: 4-bromobutyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: 4-bromobutyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: 4-bromobutyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C36H44BrO4PS MolecularWeight: 683.674921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CCCCBr)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CCCCBr)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23BrP.C14H22O4S/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h1-9,12-17H,10-11,18-19H2;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1