oxocane-2-carboxylate; titanium(4+)

Systemtic Name: oxocane-2-carboxylate; titanium(4+) Openeye Name: oxocane-2-carboxylate; titanium(4+) CAS Name: 2-oxocanecarboxylate; titanium(4+) IUPAC Name: oxocane-2-carboxylate; titanium(4+) Traditional Name: oxocane-2-carboxylate; titanium(4+) Formula: C32H52O12Ti MolecularWeight: 676.61508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCOC(CC1)C(=O)[O-].C1CCCOC(CC1)C(=O)[O-].C1CCCOC(CC1)C(=O)[O-].C1CCCOC(CC1)C(=O)[O-].[Ti+4]

Isomeric SMILES

C1CCCOC(CC1)C(=O)[O-].C1CCCOC(CC1)C(=O)[O-].C1CCCOC(CC1)C(=O)[O-].C1CCCOC(CC1)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C8H14O3.Ti/c4*9-8(10)7-5-3-1-2-4-6-11-7;/h4*7H,1-6H2,(H,9,10);/q;;;;+4/p-4