2-[[2-methyl-2-(4-oxidanylbutyl)-4-oxidanylidene-8-propyl-3H-chromen-7-yl]oxy]butanoic acid

Systemtic Name: 2-[[2-methyl-2-(4-oxidanylbutyl)-4-oxidanylidene-8-propyl-3H-chromen-7-yl]oxy]butanoic acid Openeye Name: 2-[2-(4-hydroxybutyl)-2-methyl-4-oxo-8-propyl-chroman-7-yl]oxybutanoic acid CAS Name: 2-[[2-(4-hydroxybutyl)-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]butanoic acid IUPAC Name: 2-[[2-(4-hydroxybutyl)-2-methyl-4-oxo-8-propyl-3H-chromen-7-yl]oxy]butanoic acid Traditional Name: 2-[2-(4-hydroxybutyl)-4-keto-2-methyl-8-propyl-chroman-7-yl]oxybutyric acid Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(C)CCCCO)OC(CC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(C)CCCCO)OC(CC)C(=O)O

InChI

InChI=1S/C21H30O6/c1-4-8-15-18(26-17(5-2)20(24)25)10-9-14-16(23)13-21(3,27-19(14)15)11-6-7-12-22/h9-10,17,22H,4-8,11-13H2,1-3H3,(H,24,25)