(2S)-2-[3-(2,4-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoate

Systemtic Name: (2S)-2-[3-(2,4-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: (2S)-2-[3-(2,4-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate CAS Name: (2S)-2-[[3-(2,4-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoate IUPAC Name: (2S)-2-[3-(2,4-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoate Traditional Name: (2S)-2-[3-(2,4-dimethylphenoxy)-4-keto-chromen-7-yl]oxypropionate Formula: C20H17O6- MolecularWeight: 353.34538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O6/c1-11-4-7-16(12(2)8-11)26-18-10-24-17-9-14(25-13(3)20(22)23)5-6-15(17)19(18)21/h4-10,13H,1-3H3,(H,22,23)/p-1/t13-/m0/s1