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

Systemtic Name: (4-butoxyphenyl)methyl-triphenyl-phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: (4-butoxyphenyl)methyl-triphenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: (4-butoxyphenyl)methyl-triphenylphosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: (4-butoxyphenyl)methyl-triphenylphosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: (4-butoxybenzyl)-triphenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C43H51O5PS MolecularWeight: 710.900801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C29H30OP.C14H22O4S/c1-2-3-23-30-26-21-19-25(20-22-26)24-31(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h4-22H,2-3,23-24H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1