[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H14BrClO6S MolecularWeight: 461.71146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)Br

InChI

InChI=1S/C17H14BrClO6S/c1-24-16-6-3-10(7-13(16)18)15(20)9-25-17(21)12-8-11(26(2,22)23)4-5-14(12)19/h3-8H,9H2,1-2H3