(2R)-2-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxidanylidene-chromen-7-yl]oxypropanoate

Systemtic Name: (2R)-2-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: (2R)-2-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxo-chromen-7-yl]oxypropanoate CAS Name: (2R)-2-[[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxo-1-benzopyran-7-yl]oxy]propanoate IUPAC Name: (2R)-2-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxochromen-7-yl]oxypropanoate Traditional Name: (2R)-2-[3-(3,5-dimethylphenoxy)-2-ethyl-4-keto-chromen-7-yl]oxypropionate Formula: C22H21O6- MolecularWeight: 381.39854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(C)C(=O)[O-])OC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C=C(C=C2)O[C@H](C)C(=O)[O-])OC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H22O6/c1-5-18-21(27-16-9-12(2)8-13(3)10-16)20(23)17-7-6-15(11-19(17)28-18)26-14(4)22(24)25/h6-11,14H,5H2,1-4H3,(H,24,25)/p-1/t14-/m1/s1