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

Systemtic Name: 3-[7-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C28H32O8 MolecularWeight: 496.54888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=C(C3=C(C=C2)C(=O)C=C(O3)CCC(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=C(C3=C(C=C2)C(=O)C=C(O3)CCC(=O)O)CCC

InChI

InChI=1S/C28H32O8/c1-4-6-21-24(11-9-19(17(3)29)27(21)33)34-14-15-35-25-12-10-20-23(30)16-18(8-13-26(31)32)36-28(20)22(25)7-5-2/h9-12,16,33H,4-8,13-15H2,1-3H3,(H,31,32)