3-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: 3-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)propanoate Openeye Name: 3-(6-chloro-7-methyl-4-oxo-chromen-3-yl)propanoate CAS Name: 3-(6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl)propanoate IUPAC Name: 3-(6-chloro-7-methyl-4-oxochromen-3-yl)propanoate Traditional Name: 3-(6-chloro-4-keto-7-methyl-chromen-3-yl)propionate Formula: C13H10ClO4- MolecularWeight: 265.6691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C(C2=O)CCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C(C2=O)CCC(=O)[O-])Cl

InChI

InChI=1S/C13H11ClO4/c1-7-4-11-9(5-10(7)14)13(17)8(6-18-11)2-3-12(15)16/h4-6H,2-3H2,1H3,(H,15,16)/p-1