methyl 2-ethyl-4-(3-methylphenyl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethyl-4-(3-methylphenyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-ethyl-5-methylsulfonyl-4-(m-tolyl)benzoate CAS Name: 2-ethyl-4-(3-methylphenyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-(3-methylphenyl)-5-methylsulfonylbenzoate Traditional Name: 2-ethyl-5-mesyl-4-(m-tolyl)benzoic acid methyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)C)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)C)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H20O4S/c1-5-13-10-15(14-8-6-7-12(2)9-14)17(23(4,20)21)11-16(13)18(19)22-3/h6-11H,5H2,1-4H3