7,7-dimethyloctanoate; methylaluminum(2+)

Systemtic Name: 7,7-dimethyloctanoate; methylaluminum(2+) Openeye Name: 7,7-dimethyloctanoate; methylaluminum(2+) CAS Name: 7,7-dimethyloctanoate; methylaluminum(2+) IUPAC Name: 7,7-dimethyloctanoate; methylaluminum(2+) Traditional Name: 7,7-dimethylcaprylate; methylaluminum(2+) Formula: C21H41AlO4 MolecularWeight: 384.529378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].C[Al+2]

Isomeric SMILES

CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].C[Al+2]

InChI

InChI=1S/2C10H20O2.CH3.Al/c2*1-10(2,3)8-6-4-5-7-9(11)12;;/h2*4-8H2,1-3H3,(H,11,12);1H3;/q;;;+2/p-2