[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-(4-methylsulfonylphenyl)-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-(4-methylsulfonylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylphenyl)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-keto-2-(4-mesylphenyl)ethyl] ester Formula: C20H21ClO6S MolecularWeight: 424.89514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H21ClO6S/c1-14-12-16(7-10-18(14)21)26-11-3-4-20(23)27-13-19(22)15-5-8-17(9-6-15)28(2,24)25/h5-10,12H,3-4,11,13H2,1-2H3