3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid

Systemtic Name: 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: 3-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: 3-[[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: 3-[3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: 3-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl]oxypropionic acid Formula: C20H17ClO6 MolecularWeight: 388.79838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCCC(=O)O

InChI

InChI=1S/C20H17ClO6/c1-11-7-14(8-12(2)19(11)21)27-17-10-26-16-9-13(25-6-5-18(22)23)3-4-15(16)20(17)24/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)