4-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-8-yl)oxybutanoic acid

Systemtic Name: 4-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-8-yl)oxybutanoic acid Openeye Name: 4-(2-hydroxy-3-octoxy-4-oxo-chromen-8-yl)oxybutanoic acid CAS Name: 4-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-8-yl)oxy]butanoic acid IUPAC Name: 4-(2-hydroxy-3-octoxy-4-oxochromen-8-yl)oxybutanoic acid Traditional Name: 4-(2-hydroxy-4-keto-3-octoxy-chromen-8-yl)oxybutyric acid Formula: C21H28O7 MolecularWeight: 392.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(OC2=C(C1=O)C=CC=C2OCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C=CC=C2OCCCC(=O)O)O

InChI

InChI=1S/C21H28O7/c1-2-3-4-5-6-7-13-27-20-18(24)15-10-8-11-16(19(15)28-21(20)25)26-14-9-12-17(22)23/h8,10-11,25H,2-7,9,12-14H2,1H3,(H,22,23)