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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; heptyl(triphenyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; heptyl(triphenyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; heptyl(triphenyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; heptyl(triphenyl)phosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; heptyl(triphenyl)phosphonium Formula: C39H51O4PS MolecularWeight: 646.858601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[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

CCCCCCC[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/C25H30P.C14H22O4S/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h6-14,16-21H,2-5,15,22H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1