(2S)-2-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxypropanoic acid

Systemtic Name: (2S)-2-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: (2S)-2-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: (2S)-2-[[3-(3,5-dimethylphenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: (2S)-2-[3-(3,5-dimethylphenoxy)-4-keto-2-methyl-chromen-7-yl]oxypropionic acid Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(C)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O[C@@H](C)C(=O)O)C)C

InChI

InChI=1S/C21H20O6/c1-11-7-12(2)9-16(8-11)27-20-13(3)26-18-10-15(25-14(4)21(23)24)5-6-17(18)19(20)22/h5-10,14H,1-4H3,(H,23,24)/t14-/m0/s1