(3S)-7-chloranyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)Cl)C(=O)O1)C(=O)O

Isomeric SMILES

C[C@]1(CC2=C(C=C(C=C2)Cl)C(=O)O1)C(=O)O

InChI

InChI=1S/C11H9ClO4/c1-11(10(14)15)5-6-2-3-7(12)4-8(6)9(13)16-11/h2-4H,5H2,1H3,(H,14,15)/t11-/m0/s1