butanedioate; phthalate; ethanoate

Systemtic Name: butanedioate; phthalate; ethanoate Openeye Name: butanedioate; phthalate; acetate CAS Name: butanedioate; phthalate; acetate IUPAC Name: butanedioate; phthalate; acetate Traditional Name: phthalate; succinate; acetate Formula: C14H11O10-5 MolecularWeight: 339.23114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C4H6O4.C2H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;5-3(6)1-2-4(7)8;1-2(3)4/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);1H3,(H,3,4)/p-5