benzene-1,3-dicarboxylate; phthalate

Systemtic Name: benzene-1,3-dicarboxylate; phthalate Openeye Name: benzene-1,3-dicarboxylate; phthalate CAS Name: benzene-1,3-dicarboxylate; phthalate IUPAC Name: benzene-1,3-dicarboxylate; phthalate Traditional Name: isophthalate; phthalate Formula: C16H8O8-4 MolecularWeight: 328.22992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*1-4H,(H,9,10)(H,11,12)/p-4