[(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]aluminum dihydrate

Systemtic Name: [(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]aluminum dihydrate Openeye Name: [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]aluminum dihydrate CAS Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]aluminum dihydrate IUPAC Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]aluminum dihydrate Traditional Name: [(5S)-5-amino-6-hydroxy-6-keto-hexyl]aluminum dihydrate Formula: C6H16AlNO4 MolecularWeight: 193.177078

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Descriptors Computed from Structure

Canonical SMILES:

C(CC[Al])CC(C(=O)O)N.O.O

Isomeric SMILES

C(CC[Al])C[C@@H](C(=O)O)N.O.O

InChI

InChI=1S/C6H12NO2.Al.2H2O/c1-2-3-4-5(7)6(8)9;;;/h5H,1-4,7H2,(H,8,9);;2*1H2/t5-;;;/m0.../s1