5-bromanyl-3,4-dimethyl-6,8-bis(oxidanyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid

Systemtic Name: 5-bromanyl-3,4-dimethyl-6,8-bis(oxidanyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid Openeye Name: 5-bromo-6,8-dihydroxy-3,4-dimethyl-isochromane-7-carboxylic acid CAS Name: 5-bromo-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: 5-bromo-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid Traditional Name: 5-bromo-6,8-dihydroxy-3,4-dimethyl-isochroman-7-carboxylic acid Formula: C12H13BrO5 MolecularWeight: 317.13262

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCC2=C1C(=C(C(=C2O)C(=O)O)O)Br)C

Isomeric SMILES

CC1C(OCC2=C1C(=C(C(=C2O)C(=O)O)O)Br)C

InChI

InChI=1S/C12H13BrO5/c1-4-5(2)18-3-6-7(4)9(13)11(15)8(10(6)14)12(16)17/h4-5,14-15H,3H2,1-2H3,(H,16,17)