sodium 2-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]ethanoate

Systemtic Name: sodium 2-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]ethanoate Openeye Name: sodium 2-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-methyl-2-oxo-chromen-3-yl]acetate CAS Name: sodium 2-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-methyl-2-oxo-1-benzopyran-3-yl]acetate IUPAC Name: sodium 2-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-methyl-2-oxochromen-3-yl]acetate Traditional Name: sodium 2-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-keto-4-methyl-chromen-3-yl]acetate Formula: C26H27NaO9 MolecularWeight: 506.47695

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC(=O)[O-])C)O.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC(=O)[O-])C)O.[Na+]

InChI

InChI=1S/C26H28O9.Na/c1-4-5-20-22(9-8-19(15(3)27)25(20)31)34-13-16(28)12-33-17-6-7-18-14(2)21(11-24(29)30)26(32)35-23(18)10-17;/h6-10,16,28,31H,4-5,11-13H2,1-3H3,(H,29,30);/q;+1/p-1