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

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C16H15ClO4S2 MolecularWeight: 370.8709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClO4S2/c1-22-12-5-3-11(4-6-12)10-21-16(18)14-9-13(23(2,19)20)7-8-15(14)17/h3-9H,10H2,1-2H3