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

Systemtic Name: 4-[4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]-2,6-di(propan-2-yl)phenoxy]sulfonyl-3-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-ethylbenzofuran-3-carbonyl)-2,6-diisopropyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid CAS Name: 4-[4-[(2-ethyl-3-benzofuranyl)-oxomethyl]-2,6-di(propan-2-yl)phenoxy]sulfonyl-3-hydroxybenzoic acid IUPAC Name: 4-[4-(2-ethyl-1-benzofuran-3-carbonyl)-2,6-di(propan-2-yl)phenoxy]sulfonyl-3-hydroxybenzoic acid Traditional Name: 4-[4-(2-ethylbenzofuran-3-carbonyl)-2,6-diisopropyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid Formula: C30H30O8S MolecularWeight: 550.6194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30O8S/c1-6-24-27(20-9-7-8-10-25(20)37-24)28(32)19-13-21(16(2)3)29(22(14-19)17(4)5)38-39(35,36)26-12-11-18(30(33)34)15-23(26)31/h7-17,31H,6H2,1-5H3,(H,33,34)