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

Systemtic Name: methyl 2-chloranyl-4-(4-methylphenyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-chloro-5-methylsulfonyl-4-(p-tolyl)benzoate CAS Name: 2-chloro-4-(4-methylphenyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-(4-methylphenyl)-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-4-(p-tolyl)benzoic acid methyl ester Formula: C16H15ClO4S MolecularWeight: 338.8059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)C)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)C)C(=O)OC)Cl

InChI

InChI=1S/C16H15ClO4S/c1-10-4-6-11(7-5-10)12-8-14(17)13(16(18)21-2)9-15(12)22(3,19)20/h4-9H,1-3H3