(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12Cl2O6S MolecularWeight: 403.23388

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)Cl

InChI

InChI=1S/C16H12Cl2O6S/c1-25(20,21)14-6-10(2-3-11(14)17)16(19)22-7-9-4-12(18)15-13(5-9)23-8-24-15/h2-6H,7-8H2,1H3