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

Systemtic Name: 3-[7-[3-(2-ethanoyl-3-oxidanyl-phenoxy)propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[3-(2-acetyl-3-hydroxy-phenoxy)propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[3-(2-acetyl-3-hydroxyphenoxy)propoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[3-(2-acetyl-3-hydroxyphenoxy)propoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[3-(2-acetyl-3-hydroxy-phenoxy)propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C26H28O8 MolecularWeight: 468.49572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCOC3=CC=CC(=C3C(=O)C)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCOC3=CC=CC(=C3C(=O)C)O

InChI

InChI=1S/C26H28O8/c1-3-6-19-22(11-10-18-21(29)15-17(34-26(18)19)9-12-24(30)31)32-13-5-14-33-23-8-4-7-20(28)25(23)16(2)27/h4,7-8,10-11,15,28H,3,5-6,9,12-14H2,1-2H3,(H,30,31)