hexanedioate; phthalate

Systemtic Name: hexanedioate; phthalate Openeye Name: hexanedioate; phthalate CAS Name: hexanedioate; phthalate IUPAC Name: hexanedioate; phthalate Traditional Name: adipate; phthalate Formula: C20H20O12-6 MolecularWeight: 452.3656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.2C6H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*7-5(8)3-1-2-4-6(9)10/h1-4H,(H,9,10)(H,11,12);2*1-4H2,(H,7,8)(H,9,10)/p-6