aluminum 6-ethanoyl-4,8-bis(oxidanylidene)undecane-2,5,8-tricarboxylate

Systemtic Name: aluminum 6-ethanoyl-4,8-bis(oxidanylidene)undecane-2,5,8-tricarboxylate Openeye Name: aluminum 6-acetyl-4,8-dioxo-undecane-2,5,8-tricarboxylate CAS Name: aluminum 6-acetyl-4,8-dioxoundecane-2,5,8-tricarboxylate IUPAC Name: aluminum 6-acetyl-4,8-dioxoundecane-2,5,8-tricarboxylate Traditional Name: aluminum 6-acetyl-4,8-diketo-undecane-2,5,8-tricarboxylate Formula: C16H19AlO9 MolecularWeight: 382.298198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O9.Al/c1-4-9(13(20)21)11(18)6-16(8(3)17,15(24)25)7-12(19)10(5-2)14(22)23;/h9-10H,4-7H2,1-3H3,(H,20,21)(H,22,23)(H,24,25);/q;+3/p-3