butanedioate benzoate

Systemtic Name: butanedioate benzoate Openeye Name: butanedioate benzoate CAS Name: butanedioate benzoate IUPAC Name: butanedioate benzoate Traditional Name: succinate benzoate Formula: C11H9O6-3 MolecularWeight: 237.18556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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