(4-methylsulfanylphenyl) 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl) 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl) 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [4-(methylthio)phenyl] ester Formula: C15H13ClO4S2 MolecularWeight: 356.84432

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H13ClO4S2/c1-21-11-5-3-10(4-6-11)20-15(17)13-9-12(22(2,18)19)7-8-14(13)16/h3-9H,1-2H3