2-[3,5-bis(bromanyl)-4-[3-[(6-methoxypyridazin-3-yl)methyl]-4-oxidanyl-phenyl]sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-[3-[(6-methoxypyridazin-3-yl)methyl]-4-oxidanyl-phenyl]sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-[4-hydroxy-3-[(6-methoxypyridazin-3-yl)methyl]phenyl]sulfonyl-phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-[4-hydroxy-3-[(6-methoxy-3-pyridazinyl)methyl]phenyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-[4-hydroxy-3-[(6-methoxypyridazin-3-yl)methyl]phenyl]sulfonylphenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-[4-hydroxy-3-[(6-methoxypyridazin-3-yl)methyl]phenyl]sulfonyl-phenyl]acetic acid Formula: C20H16Br2N2O6S MolecularWeight: 572.22384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)CC2=C(C=CC(=C2)S(=O)(=O)C3=C(C=C(C=C3Br)CC(=O)O)Br)O

Isomeric SMILES

COC1=NN=C(C=C1)CC2=C(C=CC(=C2)S(=O)(=O)C3=C(C=C(C=C3Br)CC(=O)O)Br)O

InChI

InChI=1S/C20H16Br2N2O6S/c1-30-18-5-2-13(23-24-18)9-12-10-14(3-4-17(12)25)31(28,29)20-15(21)6-11(7-16(20)22)8-19(26)27/h2-7,10,25H,8-9H2,1H3,(H,26,27)