methyl 3-(bromomethyl)-2-chloranyl-4-(sulfonylmethyl)benzoate

Systemtic Name: methyl 3-(bromomethyl)-2-chloranyl-4-(sulfonylmethyl)benzoate Openeye Name: methyl 3-(bromomethyl)-2-chloro-4-(sulfonylmethyl)benzoate CAS Name: 3-(bromomethyl)-2-chloro-4-(sulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-2-chloro-4-(sulfonylmethyl)benzoate Traditional Name: 3-(bromomethyl)-2-chloro-4-(sulfonylmethyl)benzoic acid methyl ester Formula: C10H8BrClO4S MolecularWeight: 339.59012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)C=S(=O)=O)CBr)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)C=S(=O)=O)CBr)Cl

InChI

InChI=1S/C10H8BrClO4S/c1-16-10(13)7-3-2-6(5-17(14)15)8(4-11)9(7)12/h2-3,5H,4H2,1H3