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

Systemtic Name: calcium 4-[2-oxidanyl-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]benzoate Openeye Name: calcium 4-[2-hydroxy-2-(5-isopropylbenzofuran-2-yl)ethoxy]benzoate CAS Name: calcium 4-[2-hydroxy-2-(5-propan-2-yl-2-benzofuranyl)ethoxy]benzoate IUPAC Name: calcium 4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]benzoate Traditional Name: calcium 4-[2-hydroxy-2-(5-isopropylbenzofuran-2-yl)ethoxy]benzoate Formula: C40H38CaO10 MolecularWeight: 718.80172

Click to see the large picture

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

InChI

InChI=1S/2C20H20O5.Ca/c2*1-12(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;/h2*3-10,12,17,21H,11H2,1-2H3,(H,22,23);/q;;+2/p-2