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

Systemtic Name: 4-[4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]-2,6-dimethyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-ethylbenzofuran-3-carbonyl)-2,6-dimethyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-[(2-ethyl-3-benzofuranyl)-oxomethyl]-2,6-dimethylphenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-(2-ethyl-1-benzofuran-3-carbonyl)-2,6-dimethylphenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-(2-ethylbenzofuran-3-carbonyl)-2,6-dimethyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C26H22O8S MolecularWeight: 494.51308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22O8S/c1-4-21-23(19-7-5-6-8-22(19)33-21)24(28)16-11-14(2)25(15(3)12-16)34-35(31,32)17-9-10-18(26(29)30)20(27)13-17/h5-13,27H,4H2,1-3H3,(H,29,30)