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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; triphenyl(3-phenylpropyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; triphenyl(3-phenylpropyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; triphenyl(3-phenylpropyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; triphenyl(3-phenylpropyl)phosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; triphenyl(3-phenylpropyl)phosphonium Formula: C41H47O4PS MolecularWeight: 666.848241

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

InChI

InChI=1S/C27H26P.C14H22O4S/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h1-12,14-15,17-22H,13,16,23H2;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1