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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; nonyl(triphenyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; nonyl(triphenyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; nonyl(triphenyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; nonyl(triphenyl)phosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; nonyl(triphenyl)phosphonium Formula: C41H55O4PS MolecularWeight: 674.911761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[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

CCCCCCCCC[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/C27H34P.C14H22O4S/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h8-16,18-23H,2-7,17,24H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1