(4-methylsulfanylphenyl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [4-(methylthio)benzyl] ester Formula: C17H18O4S2 MolecularWeight: 350.45242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C17H18O4S2/c1-22-16-8-6-13(7-9-16)11-21-17(18)15-5-3-4-14(10-15)12-23(2,19)20/h3-10H,11-12H2,1-2H3