2-bromanyl-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid

Systemtic Name: 2-bromanyl-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid Openeye Name: 2-bromo-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid CAS Name: 2-bromo-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid IUPAC Name: 2-bromo-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid Traditional Name: 2-bromo-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid Formula: C16H15BrO7S MolecularWeight: 431.2551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)C(=O)O)Br

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)C(=O)O)Br

InChI

InChI=1S/C16H15BrO7S/c1-22-12-8-11(15(23-2)13(14(12)17)16(18)19)9-4-6-10(7-5-9)24-25(3,20)21/h4-8H,1-3H3,(H,18,19)