5-chloranylbenzene-1,3-dicarboxylic acid; terephthalate

Systemtic Name: 5-chloranylbenzene-1,3-dicarboxylic acid; terephthalate Openeye Name: 5-chlorobenzene-1,3-dicarboxylic acid; terephthalate CAS Name: 5-chlorobenzene-1,3-dicarboxylic acid; terephthalate IUPAC Name: 5-chlorobenzene-1,3-dicarboxylic acid; terephthalate Traditional Name: 5-chloroisophthalic acid; terephthalate Formula: C16H9ClO8-2 MolecularWeight: 364.69086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=C(C=C(C=C1C(=O)O)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=C(C=C(C=C1C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C8H5ClO4.C8H6O4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-3H,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12)/p-2