tetraaluminum; 2-methylquinolin-8-olate; oxygen(2-)

Systemtic Name: tetraaluminum; 2-methylquinolin-8-olate; oxygen(2-) Openeye Name: tetraaluminum; 2-methylquinolin-8-olate; oxygen(2-) CAS Name: tetraaluminum; 2-methyl-8-quinolinolate; oxygen(2-) IUPAC Name: tetraaluminum; 2-methylquinolin-8-olate; oxygen(2-) Traditional Name: tetraaluminum; 2-methylquinolin-8-olate; oxygen(2-) Formula: C60H48Al4N6O9 MolecularWeight: 1104.984072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.[O-2].[O-2].[O-2].[Al+3].[Al+3].[Al+3].[Al+3]

Isomeric SMILES

CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.[O-2].[O-2].[O-2].[Al+3].[Al+3].[Al+3].[Al+3]

InChI

InChI=1S/6C10H9NO.4Al.3O/c6*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;;;;;/h6*2-6,12H,1H3;;;;;;;/q;;;;;;4*+3;3*-2/p-6