(4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (4-methoxy-3,5-dimethylphenyl)-diphenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium; 4-methylbenzenesulfonate Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfonium tosylate Formula: C28H28O4S2 MolecularWeight: 492.64952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=CC(=C1OC)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=CC(=C1OC)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21OS.C7H8O3S/c1-16-14-20(15-17(2)21(16)22-3)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-15H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1