(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H19BrO6S MolecularWeight: 503.36236

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4

InChI

InChI=1S/C23H19BrO6S/c1-31(26,27)20-9-7-15(8-10-20)22(25)28-13-17-11-19(24)12-18-14-29-23(30-21(17)18)16-5-3-2-4-6-16/h2-12,23H,13-14H2,1H3