(2S)-2-[3-(2-methylphenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid

Systemtic Name: (2S)-2-[3-(2-methylphenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: (2S)-2-[3-(2-methylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: (2S)-2-[[3-(2-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[3-(2-methylphenoxy)-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: (2S)-2-[4-keto-3-(2-methylphenoxy)chromen-7-yl]oxypropionic acid Formula: C19H16O6 MolecularWeight: 340.32674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16O6/c1-11-5-3-4-6-15(11)25-17-10-23-16-9-13(24-12(2)19(21)22)7-8-14(16)18(17)20/h3-10,12H,1-2H3,(H,21,22)/t12-/m0/s1