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

Systemtic Name: 3-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: 3-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: 3-[[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: 3-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: 3-[3-(3,5-dimethylphenoxy)-2-ethyl-4-keto-chromen-7-yl]oxypropionic acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C=C(C=C2)OCCC(=O)O)OC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C=C(C=C2)OCCC(=O)O)OC3=CC(=CC(=C3)C)C

InChI

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