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

Systemtic Name: 3-bromanylpropyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: 3-bromopropyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: 3-bromopropyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: 3-bromopropyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: 3-bromopropyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C35H42BrO4PS MolecularWeight: 669.648341

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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+](CCCBr)(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+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrP.C14H22O4S/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h1-9,11-16H,10,17-18H2;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1