4-[2,6-bis(bromanyl)-4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]phenoxy]sulfonyl-3-oxidanyl-benzoic acid

Systemtic Name: 4-[2,6-bis(bromanyl)-4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]phenoxy]sulfonyl-3-oxidanyl-benzoic acid Openeye Name: 4-[2,6-dibromo-4-(2-ethylbenzofuran-3-carbonyl)phenoxy]sulfonyl-3-hydroxy-benzoic acid CAS Name: 4-[2,6-dibromo-4-[(2-ethyl-3-benzofuranyl)-oxomethyl]phenoxy]sulfonyl-3-hydroxybenzoic acid IUPAC Name: 4-[2,6-dibromo-4-(2-ethyl-1-benzofuran-3-carbonyl)phenoxy]sulfonyl-3-hydroxybenzoic acid Traditional Name: 4-[2,6-dibromo-4-(2-ethylbenzofuran-3-carbonyl)phenoxy]sulfonyl-3-hydroxy-benzoic acid Formula: C24H16Br2O8S MolecularWeight: 624.25204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)OS(=O)(=O)C4=C(C=C(C=C4)C(=O)O)O)Br

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)OS(=O)(=O)C4=C(C=C(C=C4)C(=O)O)O)Br

InChI

InChI=1S/C24H16Br2O8S/c1-2-18-21(14-5-3-4-6-19(14)33-18)22(28)13-9-15(25)23(16(26)10-13)34-35(31,32)20-8-7-12(24(29)30)11-17(20)27/h3-11,27H,2H2,1H3,(H,29,30)