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

Systemtic Name: 3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C29H34O9 MolecularWeight: 526.57486

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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)CCC)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)CCC)O

InChI

InChI=1S/C29H34O9/c1-4-6-22-25(11-9-20(17(3)30)28(22)35)36-15-18(31)16-37-26-12-10-21-24(32)14-19(8-13-27(33)34)38-29(21)23(26)7-5-2/h9-12,14,18,31,35H,4-8,13,15-16H2,1-3H3,(H,33,34)