[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H21ClO5S/c1-4-13-6-7-14(5-2)16(10-13)18(22)12-26-20(23)15-8-9-17(21)19(11-15)27(3,24)25/h6-11H,4-5,12H2,1-3H3