3-(4-hydroxyphenyl)-2-oxidanylidene-propanoate; 2-oxidanylidenepentanedioate

Systemtic Name: 3-(4-hydroxyphenyl)-2-oxidanylidene-propanoate; 2-oxidanylidenepentanedioate Openeye Name: 3-(4-hydroxyphenyl)-2-oxo-propanoate; 2-oxopentanedioate CAS Name: 3-(4-hydroxyphenyl)-2-oxopropanoate; 2-oxopentanedioate IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoate; 2-oxopentanedioate Traditional Name: 3-(4-hydroxyphenyl)-2-keto-propionate; 2-ketoglutarate Formula: C14H11O9-3 MolecularWeight: 323.23174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)C(=O)[O-])O.C(CC(=O)[O-])C(=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)C(=O)[O-])O.C(CC(=O)[O-])C(=O)C(=O)[O-]

InChI

InChI=1S/C9H8O4.C5H6O5/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;6-3(5(9)10)1-2-4(7)8/h1-4,10H,5H2,(H,12,13);1-2H2,(H,7,8)(H,9,10)/p-3