7-methoxy-3-methyl-1-oxidanylidene-isochromene-4-carboxylic acid

Systemtic Name: 7-methoxy-3-methyl-1-oxidanylidene-isochromene-4-carboxylic acid Openeye Name: 7-methoxy-3-methyl-1-oxo-isochromene-4-carboxylic acid CAS Name: 7-methoxy-3-methyl-1-oxo-2-benzopyran-4-carboxylic acid IUPAC Name: 7-methoxy-3-methyl-1-oxoisochromene-4-carboxylic acid Traditional Name: 1-keto-7-methoxy-3-methyl-isochromene-4-carboxylic acid Formula: C12H10O5 MolecularWeight: 234.2048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)OC)C(=O)O1)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)OC)C(=O)O1)C(=O)O

InChI

InChI=1S/C12H10O5/c1-6-10(11(13)14)8-4-3-7(16-2)5-9(8)12(15)17-6/h3-5H,1-2H3,(H,13,14)