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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; 3-methylbutyl(triphenyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; isopentyl(triphenyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 3-methylbutyl(triphenyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 3-methylbutyl(triphenyl)phosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; isoamyl(triphenyl)phosphonium Formula: C37H47O4PS MolecularWeight: 618.805441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[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

CC(C)CC[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/C23H26P.C14H22O4S/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h3-17,20H,18-19H2,1-2H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1