[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H15BrO6S MolecularWeight: 427.2664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO6S/c1-23-16-7-6-11(9-14(16)18)15(19)10-24-17(20)12-4-3-5-13(8-12)25(2,21)22/h3-9H,10H2,1-2H3