methyl 2-methylsulfonyl-3-phenylsulfanyl-benzoate

Systemtic Name: methyl 2-methylsulfonyl-3-phenylsulfanyl-benzoate Openeye Name: methyl 2-methylsulfonyl-3-phenylsulfanyl-benzoate CAS Name: 2-methylsulfonyl-3-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 2-methylsulfonyl-3-phenylsulfanylbenzoate Traditional Name: 2-mesyl-3-(phenylthio)benzoic acid methyl ester Formula: C15H14O4S2 MolecularWeight: 322.39926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)SC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)SC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C15H14O4S2/c1-19-15(16)12-9-6-10-13(14(12)21(2,17)18)20-11-7-4-3-5-8-11/h3-10H,1-2H3