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

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-(2-phenylethanoyl)benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-(2-phenylacetyl)benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-(1-oxo-2-phenylethyl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-(2-phenylacetyl)benzoate Traditional Name: 5-mesyl-2-methyl-4-(2-phenylacetyl)benzoic acid methyl ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H18O5S/c1-12-9-15(16(19)10-13-7-5-4-6-8-13)17(24(3,21)22)11-14(12)18(20)23-2/h4-9,11H,10H2,1-3H3