3-[(2S)-6,8-bis(chloranyl)-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoate

Systemtic Name: 3-[(2S)-6,8-bis(chloranyl)-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoate Openeye Name: 3-[(2S)-6,8-dichloro-2-methyl-4-oxo-chroman-2-yl]propanoate CAS Name: 3-[(2S)-6,8-dichloro-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[(2S)-6,8-dichloro-2-methyl-4-oxo-3H-chromen-2-yl]propanoate Traditional Name: 3-[(2S)-6,8-dichloro-4-keto-2-methyl-chroman-2-yl]propionate Formula: C13H11Cl2O4- MolecularWeight: 302.13004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=CC(=CC(=C2O1)Cl)Cl)CCC(=O)[O-]

Isomeric SMILES

C[C@@]1(CC(=O)C2=CC(=CC(=C2O1)Cl)Cl)CCC(=O)[O-]

InChI

InChI=1S/C13H12Cl2O4/c1-13(3-2-11(17)18)6-10(16)8-4-7(14)5-9(15)12(8)19-13/h4-5H,2-3,6H2,1H3,(H,17,18)/p-1/t13-/m0/s1