(4-methylsulfanylphenyl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-methylsulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [4-(methylthio)benzyl] ester Formula: C16H16O4S2 MolecularWeight: 336.42584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4S2/c1-21-14-8-6-12(7-9-14)11-20-16(17)13-4-3-5-15(10-13)22(2,18)19/h3-10H,11H2,1-2H3