(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H15BrO6S MolecularWeight: 427.2664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C17H15BrO6S/c1-25(20,21)16-5-3-2-4-12(16)17(19)24-10-11-8-14-15(9-13(11)18)23-7-6-22-14/h2-5,8-9H,6-7,10H2,1H3