4-[3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxybutanoate

Systemtic Name: 4-[3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxybutanoate Openeye Name: 4-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxybutanoate CAS Name: 4-[[3-(2,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]butanoate IUPAC Name: 4-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxybutanoate Traditional Name: 4-[3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl]oxybutyrate Formula: C21H19O6- MolecularWeight: 367.37196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OCCCC(=O)[O-]

InChI

InChI=1S/C21H20O6/c1-13-5-6-14(2)17(10-13)27-19-12-26-18-11-15(7-8-16(18)21(19)24)25-9-3-4-20(22)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,23)/p-1