aluminum 2,4-bis(oxidanylidene)henicosanoate

Systemtic Name: aluminum 2,4-bis(oxidanylidene)henicosanoate Openeye Name: aluminum 2,4-dioxohenicosanoate CAS Name: aluminum 2,4-dioxoheneicosanoate IUPAC Name: aluminum 2,4-dioxohenicosanoate Traditional Name: aluminum 2,4-diketoheneicosanoate Formula: C63H111AlO12 MolecularWeight: 1087.529778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C21H38O4.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)18-20(23)21(24)25;/h3*2-18H2,1H3,(H,24,25);/q;;;+3/p-3