sodium 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-7-propyl-1-benzofuran-2-carboxylate

Systemtic Name: sodium 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-7-propyl-1-benzofuran-2-carboxylate Openeye Name: sodium 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-7-propyl-benzofuran-2-carboxylate CAS Name: sodium 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-7-propyl-2-benzofurancarboxylate IUPAC Name: sodium 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-7-propyl-1-benzofuran-2-carboxylate Traditional Name: sodium 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-7-propyl-coumarilate Formula: C26H29NaO8 MolecularWeight: 492.49343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C=C(O3)C(=O)[O-])CCC)O.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C=C(O3)C(=O)[O-])CCC)O.[Na+]

InChI

InChI=1S/C26H30O8.Na/c1-4-6-19-21(11-9-18(15(3)27)24(19)29)32-13-17(28)14-33-22-10-8-16-12-23(26(30)31)34-25(16)20(22)7-5-2;/h8-12,17,28-29H,4-7,13-14H2,1-3H3,(H,30,31);/q;+1/p-1