4-[2-(4-bromanylbutoxy)-5-methylsulfonyl-phenyl]-1,2,4,6-tetramethyl-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[2-(4-bromanylbutoxy)-5-methylsulfonyl-phenyl]-1,2,4,6-tetramethyl-pyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-(4-bromobutoxy)-5-methylsulfonyl-phenyl]-1,2,4,6-tetramethyl-pyridine-3,5-dicarboxylic acid CAS Name: 4-[2-(4-bromobutoxy)-5-methylsulfonylphenyl]-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-(4-bromobutoxy)-5-methylsulfonylphenyl]-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-(4-bromobutoxy)-5-mesyl-phenyl]-1,2,4,6-tetramethyl-dinicotinic acid Formula: C22H28BrNO7S MolecularWeight: 530.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1C)C)C(=O)O)(C)C2=C(C=CC(=C2)S(=O)(=O)C)OCCCCBr)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1C)C)C(=O)O)(C)C2=C(C=CC(=C2)S(=O)(=O)C)OCCCCBr)C(=O)O

InChI

InChI=1S/C22H28BrNO7S/c1-13-18(20(25)26)22(3,19(21(27)28)14(2)24(13)4)16-12-15(32(5,29)30)8-9-17(16)31-11-7-6-10-23/h8-9,12H,6-7,10-11H2,1-5H3,(H,25,26)(H,27,28)