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

Systemtic Name: 3-[7-[3-(4-methylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[2-hydroxy-3-(4-methylphenoxy)propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[2-hydroxy-3-(4-methylphenoxy)propoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[2-hydroxy-3-(4-methylphenoxy)propoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[2-hydroxy-3-(4-methylphenoxy)propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C25H28O7 MolecularWeight: 440.48562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCC(COC3=CC=C(C=C3)C)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCC(COC3=CC=C(C=C3)C)O

InChI

InChI=1S/C25H28O7/c1-3-4-21-23(31-15-17(26)14-30-18-7-5-16(2)6-8-18)11-10-20-22(27)13-19(32-25(20)21)9-12-24(28)29/h5-8,10-11,13,17,26H,3-4,9,12,14-15H2,1-2H3,(H,28,29)