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

Systemtic Name: 3-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: 3-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxo-chromen-7-yl]oxypropanoate CAS Name: 3-[[3-(3,5-dimethylphenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]propanoate IUPAC Name: 3-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate Traditional Name: 3-[3-(3,5-dimethylphenoxy)-4-keto-2-methyl-chromen-7-yl]oxypropionate Formula: C21H19O6- MolecularWeight: 367.37196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCCC(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCCC(=O)[O-])C)C

InChI

InChI=1S/C21H20O6/c1-12-8-13(2)10-16(9-12)27-21-14(3)26-18-11-15(25-7-6-19(22)23)4-5-17(18)20(21)24/h4-5,8-11H,6-7H2,1-3H3,(H,22,23)/p-1