2-chloranylcyclohexane-1-carboxylate; titanium(3+)

Systemtic Name: 2-chloranylcyclohexane-1-carboxylate; titanium(3+) Openeye Name: 2-chlorocyclohexanecarboxylate; titanium(3+) CAS Name: 2-chloro-1-cyclohexanecarboxylate; titanium(3+) IUPAC Name: 2-chlorocyclohexane-1-carboxylate; titanium(3+) Traditional Name: 2-chlorocyclohexanecarboxylate; titanium(3+) Formula: C21H30Cl3O6Ti MolecularWeight: 532.6853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)[O-])Cl.C1CCC(C(C1)C(=O)[O-])Cl.C1CCC(C(C1)C(=O)[O-])Cl.[Ti+3]

Isomeric SMILES

C1CCC(C(C1)C(=O)[O-])Cl.C1CCC(C(C1)C(=O)[O-])Cl.C1CCC(C(C1)C(=O)[O-])Cl.[Ti+3]

InChI

InChI=1S/3C7H11ClO2.Ti/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*5-6H,1-4H2,(H,9,10);/q;;;+3/p-3