sodium 4-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]benzoate

Systemtic Name: sodium 4-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]benzoate Openeye Name: sodium 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromen-2-yl]benzoate CAS Name: sodium 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]benzoate IUPAC Name: sodium 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]benzoate Traditional Name: sodium 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromen-2-yl]benzoate Formula: C33H33NaO9 MolecularWeight: 596.59949

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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(=O)C=C(O3)C4=CC=C(C=C4)C(=O)[O-])CCC)O.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)C(=O)[O-])CCC)O.[Na+]

InChI

InChI=1S/C33H34O9.Na/c1-4-6-25-28(14-12-23(19(3)34)31(25)37)40-17-22(35)18-41-29-15-13-24-27(36)16-30(42-32(24)26(29)7-5-2)20-8-10-21(11-9-20)33(38)39;/h8-16,22,35,37H,4-7,17-18H2,1-3H3,(H,38,39);/q;+1/p-1