5-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-4-oxidanylidene-pyran-2-carboxylic acid

Systemtic Name: 5-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-4-oxidanylidene-pyran-2-carboxylic acid Openeye Name: 5-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-4-oxo-pyran-2-carboxylic acid CAS Name: 5-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-4-oxo-2-pyrancarboxylic acid IUPAC Name: 5-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-4-oxopyran-2-carboxylic acid Traditional Name: 5-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-4-keto-pyran-2-carboxylic acid Formula: C22H26O8 MolecularWeight: 418.43704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=COC(=CC2=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=COC(=CC2=O)C(=O)O

InChI

InChI=1S/C22H26O8/c1-3-7-16-18(9-8-15(14(2)23)21(16)25)28-10-5-4-6-11-29-20-13-30-19(22(26)27)12-17(20)24/h8-9,12-13,25H,3-7,10-11H2,1-2H3,(H,26,27)