(2S)-2-[3-(4-chloranylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[3-(4-chloranylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-butanoic acid Openeye Name: (2S)-2-[3-(4-chlorophenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic acid CAS Name: (2S)-2-[[3-(4-chlorophenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-3-methylbutanoic acid IUPAC Name: (2S)-2-[3-(4-chlorophenoxy)-4-oxochromen-7-yl]oxy-3-methylbutanoic acid Traditional Name: (2S)-2-[3-(4-chlorophenoxy)-4-keto-chromen-7-yl]oxy-3-methyl-butyric acid Formula: C20H17ClO6 MolecularWeight: 388.79838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClO6/c1-11(2)19(20(23)24)27-14-7-8-15-16(9-14)25-10-17(18(15)22)26-13-5-3-12(21)4-6-13/h3-11,19H,1-2H3,(H,23,24)/t19-/m0/s1