6-methylheptane-1,1,1-tricarboxylate; titanium(4+)

Systemtic Name: 6-methylheptane-1,1,1-tricarboxylate; titanium(4+) Openeye Name: 6-methylheptane-1,1,1-tricarboxylate; titanium(4+) CAS Name: 6-methylheptane-1,1,1-tricarboxylate; titanium(4+) IUPAC Name: 6-methylheptane-1,1,1-tricarboxylate; titanium(4+) Traditional Name: 6-methylheptane-1,1,1-tricarboxylate; titanium(4+) Formula: C44H60O24Ti3 MolecularWeight: 1116.5338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].[Ti+4].[Ti+4].[Ti+4]

Isomeric SMILES

CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].CC(C)CCCCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-].[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/4C11H18O6.3Ti/c4*1-7(2)5-3-4-6-11(8(12)13,9(14)15)10(16)17;;;/h4*7H,3-6H2,1-2H3,(H,12,13)(H,14,15)(H,16,17);;;/q;;;;3*+4/p-12