(2-hydroxyphenyl)-methyl-(phenylmethyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (2-hydroxyphenyl)-methyl-(phenylmethyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: benzyl-(2-hydroxyphenyl)-methyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (2-hydroxyphenyl)-methyl-(phenylmethyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: benzyl-(2-hydroxyphenyl)-methylsulfanium; 4-methylbenzenesulfonate Traditional Name: benzyl-(2-hydroxyphenyl)-methyl-sulfonium tosylate Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC1=CC=CC=C1)C2=CC=CC=C2O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC1=CC=CC=C1)C2=CC=CC=C2O

InChI

InChI=1S/C14H14OS.C7H8O3S/c1-16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,11H2,1H3;2-5H,1H3,(H,8,9,10)