phthalate; propanoate; ethanoate

Systemtic Name: phthalate; propanoate; ethanoate Openeye Name: phthalate; propanoate; acetate CAS Name: phthalate; propanoate; acetate IUPAC Name: phthalate; propanoate; acetate Traditional Name: phthalate; propionate; acetate Formula: C13H12O8-4 MolecularWeight: 296.22958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C3H6O2.C2H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3(4)5;1-2(3)4/h1-4H,(H,9,10)(H,11,12);2H2,1H3,(H,4,5);1H3,(H,3,4)/p-4