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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (5-ethoxy-5-oxidanylidene-pentyl)-triphenyl-phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; (5-ethoxy-5-oxo-pentyl)-triphenyl-phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (5-ethoxy-5-oxopentyl)-triphenylphosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (5-ethoxy-5-oxopentyl)-triphenylphosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; (5-ethoxy-5-keto-pentyl)-triphenyl-phosphonium Formula: C39H49O6PS MolecularWeight: 676.841521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)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

CCOC(=O)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/C25H28O2P.C14H22O4S/c1-2-27-25(26)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h3-11,14-19H,2,12-13,20-21H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1