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

Systemtic Name: sodium 6-[3-(4-ethanoyl-3-prop-2-enoxy-2-propyl-phenoxy)propoxy]-7-methyl-1-benzofuran-2-carboxylate Openeye Name: sodium 6-[3-(4-acetyl-3-allyloxy-2-propyl-phenoxy)propoxy]-7-methyl-benzofuran-2-carboxylate CAS Name: sodium 6-[3-(4-acetyl-3-prop-2-enoxy-2-propylphenoxy)propoxy]-7-methyl-2-benzofurancarboxylate IUPAC Name: sodium 6-[3-(4-acetyl-3-prop-2-enoxy-2-propylphenoxy)propoxy]-7-methyl-1-benzofuran-2-carboxylate Traditional Name: sodium 6-[3-(4-acetyl-3-allyloxy-2-propyl-phenoxy)propoxy]-7-methyl-coumarilate Formula: C27H29NaO7 MolecularWeight: 488.50473

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCC=C)C(=O)C)OCCCOC2=C(C3=C(C=C2)C=C(O3)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1OCC=C)C(=O)C)OCCCOC2=C(C3=C(C=C2)C=C(O3)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C27H30O7.Na/c1-5-8-21-23(12-10-20(18(4)28)26(21)33-13-6-2)32-15-7-14-31-22-11-9-19-16-24(27(29)30)34-25(19)17(22)3;/h6,9-12,16H,2,5,7-8,13-15H2,1,3-4H3,(H,29,30);/q;+1/p-1