[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 4-(phenylmethyl)benzenesulfonate

Systemtic Name: [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 4-(phenylmethyl)benzenesulfonate Openeye Name: 4-benzylbenzenesulfonate; (4-tert-butoxyphenyl)-diphenyl-sulfonium CAS Name: [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium; 4-(phenylmethyl)benzenesulfonate IUPAC Name: 4-benzylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium Traditional Name: 4-benzylbesylate; (4-tert-butoxyphenyl)-diphenyl-sulfonium Formula: C35H34O4S2 MolecularWeight: 582.77206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23OS.C13H12O3S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h4-17H,1-3H3;1-9H,10H2,(H,14,15,16)/q+1;/p-1