5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid

Systemtic Name: 5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid Openeye Name: 5-chloro-3-methyl-1-oxo-isochromane-7-carboxylic acid CAS Name: 5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: 5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid Traditional Name: 5-chloro-1-keto-3-methyl-isochroman-7-carboxylic acid Formula: C11H9ClO4 MolecularWeight: 240.63976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2C(=O)O1)C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C=C2C(=O)O1)C(=O)O)Cl

InChI

InChI=1S/C11H9ClO4/c1-5-2-7-8(11(15)16-5)3-6(10(13)14)4-9(7)12/h3-5H,2H2,1H3,(H,13,14)