copper 5-methylbenzene-1,3-dicarboxylate trihydrate

Systemtic Name: copper 5-methylbenzene-1,3-dicarboxylate trihydrate Openeye Name: copper 5-methylbenzene-1,3-dicarboxylate trihydrate CAS Name: copper 5-methylbenzene-1,3-dicarboxylate trihydrate IUPAC Name: copper 5-methylbenzene-1,3-dicarboxylate trihydrate Traditional Name: cupric 5-methylisophthalate trihydrate Formula: C9H12CuO7 MolecularWeight: 295.73338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].O.O.O.[Cu+2]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].O.O.O.[Cu+2]

InChI

InChI=1S/C9H8O4.Cu.3H2O/c1-5-2-6(8(10)11)4-7(3-5)9(12)13;;;;/h2-4H,1H3,(H,10,11)(H,12,13);;3*1H2/q;+2;;;/p-2