[(4-hydroxyphenyl)-phenyl-methyl]-methyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [(4-hydroxyphenyl)-phenyl-methyl]-methyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [(4-hydroxyphenyl)-phenyl-methyl]-methyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [(4-hydroxyphenyl)-phenylmethyl]-methylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [(4-hydroxyphenyl)-phenylmethyl]-methylsulfanium; 4-methylbenzenesulfonate Traditional Name: [(4-hydroxyphenyl)-phenyl-methyl]-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[SH+]C(C1=CC=CC=C1)C2=CC=C(C=C2)O

Isomeric SMILES

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

InChI

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