4-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxybutanoic acid

Systemtic Name: 4-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxybutanoic acid Openeye Name: 4-(2-hydroxy-3-octoxy-4-oxo-chromen-6-yl)oxybutanoic acid CAS Name: 4-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-6-yl)oxy]butanoic acid IUPAC Name: 4-(2-hydroxy-3-octoxy-4-oxochromen-6-yl)oxybutanoic acid Traditional Name: 4-(2-hydroxy-4-keto-3-octoxy-chromen-6-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=C(C=C2)OCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C=C(C=C2)OCCCC(=O)O)O

InChI

InChI=1S/C21H28O7/c1-2-3-4-5-6-7-12-27-20-19(24)16-14-15(26-13-8-9-18(22)23)10-11-17(16)28-21(20)25/h10-11,14,25H,2-9,12-13H2,1H3,(H,22,23)