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

Systemtic Name: butyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: butyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: butyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: butyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: butyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C36H45O4PS MolecularWeight: 604.778861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24P.C14H22O4S/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h4-18H,2-3,19H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1