(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12BrClO6S MolecularWeight: 447.68488

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C16H12BrClO6S/c1-25(20,21)10-2-3-13(18)11(5-10)16(19)22-7-9-4-14-15(6-12(9)17)24-8-23-14/h2-6H,7-8H2,1H3