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

Systemtic Name: (2S)-3-methyl-2-[3-(2-methylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-butanoate Openeye Name: (2S)-3-methyl-2-[3-(2-methylphenoxy)-4-oxo-chromen-7-yl]oxy-butanoate CAS Name: (2S)-3-methyl-2-[[3-(2-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]butanoate IUPAC Name: (2S)-3-methyl-2-[3-(2-methylphenoxy)-4-oxochromen-7-yl]oxybutanoate Traditional Name: (2S)-2-[4-keto-3-(2-methylphenoxy)chromen-7-yl]oxy-3-methyl-butyrate Formula: C21H19O6- MolecularWeight: 367.37196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C21H20O6/c1-12(2)20(21(23)24)26-14-8-9-15-17(10-14)25-11-18(19(15)22)27-16-7-5-4-6-13(16)3/h4-12,20H,1-3H3,(H,23,24)/p-1/t20-/m0/s1