(2S)-2-[3-(2,3-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-butanoate

Systemtic Name: (2S)-2-[3-(2,3-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-butanoate Openeye Name: (2S)-2-[3-(2,3-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoate CAS Name: (2S)-2-[[3-(2,3-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-3-methylbutanoate IUPAC Name: (2S)-2-[3-(2,3-dimethylphenoxy)-4-oxochromen-7-yl]oxy-3-methylbutanoate Traditional Name: (2S)-2-[3-(2,3-dimethylphenoxy)-4-keto-chromen-7-yl]oxy-3-methyl-butyrate Formula: C22H21O6- MolecularWeight: 381.39854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O6/c1-12(2)21(22(24)25)27-15-8-9-16-18(10-15)26-11-19(20(16)23)28-17-7-5-6-13(3)14(17)4/h5-12,21H,1-4H3,(H,24,25)/p-1/t21-/m0/s1