calcium 4-[2-oxidanyl-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]benzoic acid

Systemtic Name: calcium 4-[2-oxidanyl-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]benzoic acid Openeye Name: calcium 4-[2-hydroxy-2-(5-isopropylbenzofuran-2-yl)ethoxy]benzoic acid CAS Name: calcium 4-[2-hydroxy-2-(5-propan-2-yl-2-benzofuranyl)ethoxy]benzoic acid IUPAC Name: calcium 4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]benzoic acid Traditional Name: calcium 4-[2-hydroxy-2-(5-isopropylbenzofuran-2-yl)ethoxy]benzoic acid Formula: C20H20CaO5+2 MolecularWeight: 380.4478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C2)C(COC3=CC=C(C=C3)C(=O)O)O.[Ca+2]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=C2)C(COC3=CC=C(C=C3)C(=O)O)O.[Ca+2]

InChI

InChI=1S/C20H20O5.Ca/c1-12(2)14-5-8-18-15(9-14)10-19(25-18)17(21)11-24-16-6-3-13(4-7-16)20(22)23;/h3-10,12,17,21H,11H2,1-2H3,(H,22,23);/q;+2