(2S)-2-azanyl-3-phenyl-propanoate; nickel; quinolin-8-ol; dihydrate

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoate; nickel; quinolin-8-ol; dihydrate Openeye Name: (2S)-2-amino-3-phenyl-propanoate; nickel; quinolin-8-ol; dihydrate CAS Name: (2S)-2-amino-3-phenylpropanoate; nickel; 8-quinolinol; dihydrate IUPAC Name: (2S)-2-amino-3-phenylpropanoate; nickel; quinolin-8-ol; dihydrate Traditional Name: (2S)-2-amino-3-phenyl-propionate; nickel; oxine; dihydrate Formula: C18H21N2NiO5- MolecularWeight: 404.06314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])N.C1=CC2=C(C(=C1)O)N=CC=C2.O.O.[Ni]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N.C1=CC2=C(C(=C1)O)N=CC=C2.O.O.[Ni]

InChI

InChI=1S/C9H11NO2.C9H7NO.Ni.2H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-5,8H,6,10H2,(H,11,12);1-6,11H;;2*1H2/p-1/t8-;;;;/m0..../s1