butanedioate; ethanol; benzoate

Systemtic Name: butanedioate; ethanol; benzoate Openeye Name: butanedioate; ethanol; benzoate CAS Name: butanedioate; ethanol; benzoate IUPAC Name: butanedioate; ethanol; benzoate Traditional Name: ethanol; succinate; benzoate Formula: C13H15O7-3 MolecularWeight: 283.254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C4H6O4.C2H6O/c8-7(9)6-4-2-1-3-5-6;5-3(6)1-2-4(7)8;1-2-3/h1-5H,(H,8,9);1-2H2,(H,5,6)(H,7,8);3H,2H2,1H3/p-3