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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; triphenyl-(phenylmethyl)phosphanium Openeye Name: benzyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: benzyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C39H43O4PS MolecularWeight: 638.795081

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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)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22P.C14H22O4S/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h1-20H,21H2;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1