(2S)-3-methyl-2-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-butanoic acid

Systemtic Name: (2S)-3-methyl-2-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-butanoic acid Openeye Name: (2S)-3-methyl-2-(4-oxo-3-phenoxy-chromen-7-yl)oxy-butanoic acid CAS Name: (2S)-3-methyl-2-[(4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]butanoic acid IUPAC Name: (2S)-3-methyl-2-(4-oxo-3-phenoxychromen-7-yl)oxybutanoic acid Traditional Name: (2S)-2-(4-keto-3-phenoxy-chromen-7-yl)oxy-3-methyl-butyric acid Formula: C20H18O6 MolecularWeight: 354.35332

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18O6/c1-12(2)19(20(22)23)26-14-8-9-15-16(10-14)24-11-17(18(15)21)25-13-6-4-3-5-7-13/h3-12,19H,1-2H3,(H,22,23)/t19-/m0/s1