ethyl 5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylate Openeye Name: ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carboxylate CAS Name: 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate Traditional Name: 5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carboxylic acid ethyl ester Formula: C13H13ClO5 MolecularWeight: 284.69232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2CC(OC(=O)C2=C1O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C2CC(OC(=O)C2=C1O)C)Cl

InChI

InChI=1S/C13H13ClO5/c1-3-18-12(16)8-5-9(14)7-4-6(2)19-13(17)10(7)11(8)15/h5-6,15H,3-4H2,1-2H3