tert-butyl-(4-phenylsulfanylphenyl)oxidanium; 4-methylbenzenesulfonate

Systemtic Name: tert-butyl-(4-phenylsulfanylphenyl)oxidanium; 4-methylbenzenesulfonate Openeye Name: tert-butyl-(4-phenylsulfanylphenyl)oxonium; 4-methylbenzenesulfonate CAS Name: tert-butyl-[4-(phenylthio)phenyl]oxonium; 4-methylbenzenesulfonate IUPAC Name: tert-butyl-(4-phenylsulfanylphenyl)oxidanium; 4-methylbenzenesulfonate Traditional Name: tert-butyl-[4-(phenylthio)phenyl]oxonium tosylate Formula: C23H26O4S2 MolecularWeight: 430.58014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)[OH+]C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)[OH+]C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H18OS.C7H8O3S/c1-16(2,3)17-13-9-11-15(12-10-13)18-14-7-5-4-6-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-12H,1-3H3;2-5H,1H3,(H,8,9,10)