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

Systemtic Name: ethyl 3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoate Openeye Name: ethyl 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoate CAS Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]propanoate Traditional Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid ethyl ester Formula: C31H38O9 MolecularWeight: 554.62802

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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)OCC)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)OCC)CCC)O

InChI

InChI=1S/C31H38O9/c1-5-8-24-27(13-11-22(19(4)32)30(24)36)38-17-20(33)18-39-28-14-12-23-26(34)16-21(10-15-29(35)37-7-3)40-31(23)25(28)9-6-2/h11-14,16,20,33,36H,5-10,15,17-18H2,1-4H3