aluminum; (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; hexahydrate

Systemtic Name: aluminum; (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; hexahydrate Openeye Name: aluminum; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; hexahydrate CAS Name: aluminum; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; hexahydrate IUPAC Name: aluminum; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; hexahydrate Traditional Name: aluminum; (2S)-2-amino-3-(4-hydroxyphenyl)propionic acid; hexahydrate Formula: C9H23Al3NO9 MolecularWeight: 370.224834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.O.O.O.O.O.O.[Al].[Al].[Al]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.O.O.O.O.O.O.[Al].[Al].[Al]

InChI

InChI=1S/C9H11NO3.3Al.6H2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;;;;;;;/h1-4,8,11H,5,10H2,(H,12,13);;;;6*1H2/t8-;;;;;;;;;/m0........./s1