(phenylmethyl) 4-chloranyl-2-fluoranyl-5-(phenylmethyl)sulfonyl-benzoate

Systemtic Name: (phenylmethyl) 4-chloranyl-2-fluoranyl-5-(phenylmethyl)sulfonyl-benzoate Openeye Name: benzyl 5-benzylsulfonyl-4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluoro-5-(phenylmethyl)sulfonylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-benzylsulfonyl-4-chloro-2-fluorobenzoate Traditional Name: 5-benzylsulfonyl-4-chloro-2-fluoro-benzoic acid benzyl ester Formula: C21H16ClFO4S MolecularWeight: 418.865743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2F)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2F)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H16ClFO4S/c22-18-12-19(23)17(21(24)27-13-15-7-3-1-4-8-15)11-20(18)28(25,26)14-16-9-5-2-6-10-16/h1-12H,13-14H2