benzene-1,2,4-tricarboxylate; titanium(2+)

Systemtic Name: benzene-1,2,4-tricarboxylate; titanium(2+) Openeye Name: benzene-1,2,4-tricarboxylate; titanium(2+) CAS Name: benzene-1,2,4-tricarboxylate; titanium(2+) IUPAC Name: benzene-1,2,4-tricarboxylate; titanium(2+) Traditional Name: benzene-1,2,4-tricarboxylate; titanium(2+) Formula: C18H6O12Ti3 MolecularWeight: 557.83404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/2C9H6O6.3Ti/c2*10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);;;/q;;3*+2/p-6