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

Systemtic Name: 4-[4-(2-ethylfuran-3-yl)carbonyl-2,6-di(propan-2-yl)phenoxy]sulfonyl-3-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-ethylfuran-3-carbonyl)-2,6-diisopropyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid CAS Name: 4-[4-[(2-ethyl-3-furanyl)-oxomethyl]-2,6-di(propan-2-yl)phenoxy]sulfonyl-3-hydroxybenzoic acid IUPAC Name: 4-[4-(2-ethylfuran-3-carbonyl)-2,6-di(propan-2-yl)phenoxy]sulfonyl-3-hydroxybenzoic acid Traditional Name: 4-[4-(2-ethyl-3-furoyl)-2,6-diisopropyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid Formula: C26H28O8S MolecularWeight: 500.56072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CO1)C(=O)C2=CC(=C(C(=C2)C(C)C)OS(=O)(=O)C3=C(C=C(C=C3)C(=O)O)O)C(C)C

Isomeric SMILES

CCC1=C(C=CO1)C(=O)C2=CC(=C(C(=C2)C(C)C)OS(=O)(=O)C3=C(C=C(C=C3)C(=O)O)O)C(C)C

InChI

InChI=1S/C26H28O8S/c1-6-22-18(9-10-33-22)24(28)17-11-19(14(2)3)25(20(12-17)15(4)5)34-35(31,32)23-8-7-16(26(29)30)13-21(23)27/h7-15,27H,6H2,1-5H3,(H,29,30)