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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; hexadecyl(triphenyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; hexadecyl(triphenyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; hexadecyl(triphenyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; hexadecyl(triphenyl)phosphanium Traditional Name: cetyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C48H69O4PS MolecularWeight: 773.097821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[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

CCCCCCCCCCCCCCCC[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/C34H48P.C14H22O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h15-23,25-30H,2-14,24,31H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1