sodium 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-prop-2-enyl-1-benzofuran-2-carboxylate

Systemtic Name: sodium 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-prop-2-enyl-1-benzofuran-2-carboxylate Openeye Name: sodium 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-allyl-benzofuran-2-carboxylate CAS Name: sodium 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-prop-2-enyl-2-benzofurancarboxylate IUPAC Name: sodium 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-prop-2-enyl-1-benzofuran-2-carboxylate Traditional Name: sodium 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-allyl-coumarilate Formula: C26H27NaO7 MolecularWeight: 474.47815

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)OC(=C3)C(=O)[O-])CC=C.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)OC(=C3)C(=O)[O-])CC=C.[Na+]

InChI

InChI=1S/C26H28O7.Na/c1-4-7-18-20-15-24(26(29)30)33-23(20)12-11-21(18)31-13-6-14-32-22-10-9-17(16(3)27)25(28)19(22)8-5-2;/h4,9-12,15,28H,1,5-8,13-14H2,2-3H3,(H,29,30);/q;+1/p-1