sodium 4-[2-(5-tert-butyl-1-benzofuran-2-yl)-2-oxidanyl-ethoxy]benzoic acid

Systemtic Name: sodium 4-[2-(5-tert-butyl-1-benzofuran-2-yl)-2-oxidanyl-ethoxy]benzoic acid Openeye Name: sodium 4-[2-(5-tert-butylbenzofuran-2-yl)-2-hydroxy-ethoxy]benzoic acid CAS Name: sodium 4-[2-(5-tert-butyl-2-benzofuranyl)-2-hydroxyethoxy]benzoic acid IUPAC Name: sodium 4-[2-(5-tert-butyl-1-benzofuran-2-yl)-2-hydroxyethoxy]benzoic acid Traditional Name: sodium 4-[2-(5-tert-butylbenzofuran-2-yl)-2-hydroxy-ethoxy]benzoic acid Formula: C21H22NaO5+ MolecularWeight: 377.38615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=C2)C(COC3=CC=C(C=C3)C(=O)O)O.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=C2)C(COC3=CC=C(C=C3)C(=O)O)O.[Na+]

InChI

InChI=1S/C21H22O5.Na/c1-21(2,3)15-6-9-18-14(10-15)11-19(26-18)17(22)12-25-16-7-4-13(5-8-16)20(23)24;/h4-11,17,22H,12H2,1-3H3,(H,23,24);/q;+1