phthalate

Systemtic Name: phthalate Openeye Name: phthalate CAS Name: phthalate IUPAC Name: phthalate Traditional Name: phthalate Formula: C24H12O12-6 MolecularWeight: 492.34488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H6O4/c3*9-7(10)5-3-1-2-4-6(5)8(11)12/h3*1-4H,(H,9,10)(H,11,12)/p-6