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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (4-ethoxyphenyl)methyl-triphenyl-phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; (4-ethoxyphenyl)methyl-triphenyl-phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (4-ethoxyphenyl)methyl-triphenylphosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (4-ethoxyphenyl)methyl-triphenylphosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; (4-ethoxybenzyl)-triphenyl-phosphonium Formula: C41H47O5PS MolecularWeight: 682.847641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C27H26OP.C14H22O4S/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h3-21H,2,22H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1