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

Systemtic Name: 3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-8-methyl-4-oxidanylidene-chromen-2-yl]propanoate Openeye Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-8-methyl-4-oxo-chromen-2-yl]propanoate CAS Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-8-methyl-4-oxo-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-8-methyl-4-oxochromen-2-yl]propanoate Traditional Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-methyl-chromen-2-yl]propionate Formula: C27H29O9- MolecularWeight: 497.51376

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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)CCC(=O)[O-])C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H30O9/c1-4-5-21-24(10-7-19(16(3)28)26(21)33)35-14-17(29)13-34-23-9-8-20-22(30)12-18(6-11-25(31)32)36-27(20)15(23)2/h7-10,12,17,29,33H,4-6,11,13-14H2,1-3H3,(H,31,32)/p-1