aluminum 3-acetyloxy-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: aluminum 3-acetyloxy-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: aluminum 3-acetoxy-2,4-dihydroxy-4-oxo-butanoate CAS Name: aluminum 3-acetyloxy-2,4-dihydroxy-4-oxobutanoate IUPAC Name: aluminum 3-acetyloxy-2,4-dihydroxy-4-oxobutanoate Traditional Name: aluminum 3-acetoxy-2,4-dihydroxy-4-keto-butyrate Formula: C18H21AlO21 MolecularWeight: 600.328278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H8O7.Al/c3*1-2(7)13-4(6(11)12)3(8)5(9)10;/h3*3-4,8H,1H3,(H,9,10)(H,11,12);/q;;;+3/p-3