methyl 5-bromanyl-2-(4-methoxycarbonylphenyl)sulfonyl-benzoate

Systemtic Name: methyl 5-bromanyl-2-(4-methoxycarbonylphenyl)sulfonyl-benzoate Openeye Name: methyl 5-bromo-2-(4-methoxycarbonylphenyl)sulfonyl-benzoate CAS Name: 5-bromo-2-(4-methoxycarbonylphenyl)sulfonylbenzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-(4-methoxycarbonylphenyl)sulfonylbenzoate Traditional Name: 5-bromo-2-(4-carbomethoxyphenyl)sulfonyl-benzoic acid methyl ester Formula: C16H13BrO6S MolecularWeight: 413.23982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrO6S/c1-22-15(18)10-3-6-12(7-4-10)24(20,21)14-8-5-11(17)9-13(14)16(19)23-2/h3-9H,1-2H3