5-[3-[(E)-oct-1-enoxy]-2-oxidanyl-4-oxidanylidene-chromen-7-yl]oxypentanoic acid

Systemtic Name: 5-[3-[(E)-oct-1-enoxy]-2-oxidanyl-4-oxidanylidene-chromen-7-yl]oxypentanoic acid Openeye Name: 5-[2-hydroxy-3-[(E)-oct-1-enoxy]-4-oxo-chromen-7-yl]oxypentanoic acid CAS Name: 5-[[2-hydroxy-3-[(E)-oct-1-enoxy]-4-oxo-1-benzopyran-7-yl]oxy]pentanoic acid IUPAC Name: 5-[2-hydroxy-3-[(E)-oct-1-enoxy]-4-oxochromen-7-yl]oxypentanoic acid Traditional Name: 5-[2-hydroxy-4-keto-3-[(E)-oct-1-enoxy]chromen-7-yl]oxyvaleric acid Formula: C22H28O7 MolecularWeight: 404.45352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC1=C(OC2=C(C1=O)C=CC(=C2)OCCCCC(=O)O)O

Isomeric SMILES

CCCCCC/C=C/OC1=C(OC2=C(C1=O)C=CC(=C2)OCCCCC(=O)O)O

InChI

InChI=1S/C22H28O7/c1-2-3-4-5-6-8-14-28-21-20(25)17-12-11-16(15-18(17)29-22(21)26)27-13-9-7-10-19(23)24/h8,11-12,14-15,26H,2-7,9-10,13H2,1H3,(H,23,24)/b14-8+