3-(6-chloranyl-5,7-dimethyl-4-oxidanylidene-chromen-3-yl)propanoic acid

Systemtic Name: 3-(6-chloranyl-5,7-dimethyl-4-oxidanylidene-chromen-3-yl)propanoic acid Openeye Name: 3-(6-chloro-5,7-dimethyl-4-oxo-chromen-3-yl)propanoic acid CAS Name: 3-(6-chloro-5,7-dimethyl-4-oxo-1-benzopyran-3-yl)propanoic acid IUPAC Name: 3-(6-chloro-5,7-dimethyl-4-oxochromen-3-yl)propanoic acid Traditional Name: 3-(6-chloro-4-keto-5,7-dimethyl-chromen-3-yl)propionic acid Formula: C14H13ClO4 MolecularWeight: 280.70362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=O)C(=CO2)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=O)C(=CO2)CCC(=O)O

InChI

InChI=1S/C14H13ClO4/c1-7-5-10-12(8(2)13(7)15)14(18)9(6-19-10)3-4-11(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)