(2S)-2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid

Systemtic Name: (2S)-2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: (2S)-2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: (2S)-2-[[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: (2S)-2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl]oxypropionic acid Formula: C20H17ClO6 MolecularWeight: 388.79838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)O[C@@H](C)C(=O)O

InChI

InChI=1S/C20H17ClO6/c1-10-6-14(7-11(2)18(10)21)27-17-9-25-16-8-13(26-12(3)20(23)24)4-5-15(16)19(17)22/h4-9,12H,1-3H3,(H,23,24)/t12-/m0/s1