2-(6-chloranyl-2-methyl-4-oxidanylidene-2,3-dihydrothiochromen-3-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(6-chloranyl-2-methyl-4-oxidanylidene-2,3-dihydrothiochromen-3-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(6-chloro-2-methyl-4-oxo-thiochroman-3-yl)-2-oxo-acetic acid CAS Name: 2-(6-chloro-2-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-3-yl)-2-oxoacetic acid IUPAC Name: 2-(6-chloro-2-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)-2-oxoacetic acid Traditional Name: 2-(6-chloro-4-keto-2-methyl-thiochroman-3-yl)-2-keto-acetic acid Formula: C12H9ClO4S MolecularWeight: 284.71546

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C2=C(S1)C=CC(=C2)Cl)C(=O)C(=O)O

Isomeric SMILES

CC1C(C(=O)C2=C(S1)C=CC(=C2)Cl)C(=O)C(=O)O

InChI

InChI=1S/C12H9ClO4S/c1-5-9(11(15)12(16)17)10(14)7-4-6(13)2-3-8(7)18-5/h2-5,9H,1H3,(H,16,17)