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

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C17H18O4S2 MolecularWeight: 350.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H18O4S2/c1-12-4-9-15(23(3,19)20)10-16(12)17(18)21-11-13-5-7-14(22-2)8-6-13/h4-10H,11H2,1-3H3