6-chloranyl-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 6-chloranyl-1,3-benzodioxole-4-carboxylic acid Openeye Name: 6-chloro-1,3-benzodioxole-4-carboxylic acid CAS Name: 6-chloro-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 6-chloro-1,3-benzodioxole-4-carboxylic acid Traditional Name: 6-chloro-1,3-benzodioxole-4-carboxylic acid Formula: C8H5ClO4 MolecularWeight: 200.5759

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C8H5ClO4/c9-4-1-5(8(10)11)7-6(2-4)12-3-13-7/h1-2H,3H2,(H,10,11)