aluminum 2-ethyl-3-oxidanylidene-4,4-di(propanoyloxy)butanoate

Systemtic Name: aluminum 2-ethyl-3-oxidanylidene-4,4-di(propanoyloxy)butanoate Openeye Name: aluminum 2-ethyl-3-oxo-4,4-di(propanoyloxy)butanoate CAS Name: aluminum 2-ethyl-3-oxo-4,4-bis(1-oxopropoxy)butanoate IUPAC Name: aluminum 2-ethyl-3-oxo-4,4-di(propanoyloxy)butanoate Traditional Name: aluminum 2-ethyl-3-keto-4,4-dipropionyloxy-butyrate Formula: C36H51AlO21 MolecularWeight: 846.759078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H18O7.Al/c3*1-4-7(11(16)17)10(15)12(18-8(13)5-2)19-9(14)6-3;/h3*7,12H,4-6H2,1-3H3,(H,16,17);/q;;;+3/p-3