3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; naphthalen-1-ylmethyl(triphenyl)phosphanium

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; naphthalen-1-ylmethyl(triphenyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; 1-naphthylmethyl(triphenyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 1-naphthalenylmethyl(triphenyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; naphthalen-1-ylmethyl(triphenyl)phosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; 1-naphthylmethyl(triphenyl)phosphonium Formula: C43H45O4PS MolecularWeight: 688.853761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CC2=CC=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CC2=CC=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24P.C14H22O4S/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h1-22H,23H2;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1