2-(3-carboxy-4-chloranyl-phenyl)-1,3-dioxane-5-carboxylic acid

Systemtic Name: 2-(3-carboxy-4-chloranyl-phenyl)-1,3-dioxane-5-carboxylic acid Openeye Name: 2-(3-carboxy-4-chloro-phenyl)-1,3-dioxane-5-carboxylic acid CAS Name: 2-(3-carboxy-4-chlorophenyl)-1,3-dioxane-5-carboxylic acid IUPAC Name: 2-(3-carboxy-4-chlorophenyl)-1,3-dioxane-5-carboxylic acid Traditional Name: 2-(3-carboxy-4-chloro-phenyl)-1,3-dioxane-5-carboxylic acid Formula: C12H11ClO6 MolecularWeight: 286.66514

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(O1)C2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1C(COC(O1)C2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C12H11ClO6/c13-9-2-1-6(3-8(9)11(16)17)12-18-4-7(5-19-12)10(14)15/h1-3,7,12H,4-5H2,(H,14,15)(H,16,17)