phthalic acid ethanoate

Systemtic Name: phthalic acid ethanoate Openeye Name: phthalic acid acetate CAS Name: phthalic acid acetate IUPAC Name: phthalic acid acetate Traditional Name: phthalic acid acetate Formula: C82H63O42- MolecularWeight: 1720.35242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/10C8H6O4.C2H4O2/c10*9-7(10)5-3-1-2-4-6(5)8(11)12;1-2(3)4/h10*1-4H,(H,9,10)(H,11,12);1H3,(H,3,4)/p-1