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

Systemtic Name: (2R)-2-[3-(3-ethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-butanoic acid Openeye Name: (2R)-2-[3-(3-ethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic acid CAS Name: (2R)-2-[[3-(3-ethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-3-methylbutanoic acid IUPAC Name: (2R)-2-[3-(3-ethylphenoxy)-4-oxochromen-7-yl]oxy-3-methylbutanoic acid Traditional Name: (2R)-2-[3-(3-ethylphenoxy)-4-keto-chromen-7-yl]oxy-3-methyl-butyric acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(C(C)C)C(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)O[C@H](C(C)C)C(=O)O

InChI

InChI=1S/C22H22O6/c1-4-14-6-5-7-15(10-14)27-19-12-26-18-11-16(8-9-17(18)20(19)23)28-21(13(2)3)22(24)25/h5-13,21H,4H2,1-3H3,(H,24,25)/t21-/m1/s1