ethyl ethanoate; phthalate

Systemtic Name: ethyl ethanoate; phthalate Openeye Name: ethyl acetate; phthalate CAS Name: acetic acid ethyl ester; phthalate IUPAC Name: ethyl acetate; phthalate Traditional Name: acetic acid ethyl ester; phthalate Formula: C12H12O6-2 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C4H8O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-6-4(2)5/h1-4H,(H,9,10)(H,11,12);3H2,1-2H3/p-2