gallium 9-bromanyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-olate

Systemtic Name: gallium 9-bromanyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-olate Openeye Name: gallium 9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-olate CAS Name: gallium 9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-olate IUPAC Name: gallium 9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-olate Traditional Name: gallium 9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-olate Formula: C48H30Br3GaN6O3 MolecularWeight: 1048.2252

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3N=C1[O-])NC4=C2C=C(C=C4)Br.C1C2=C(C3=CC=CC=C3N=C1[O-])NC4=C2C=C(C=C4)Br.C1C2=C(C3=CC=CC=C3N=C1[O-])NC4=C2C=C(C=C4)Br.[Ga+3]

Isomeric SMILES

C1C2=C(C3=CC=CC=C3N=C1[O-])NC4=C2C=C(C=C4)Br.C1C2=C(C3=CC=CC=C3N=C1[O-])NC4=C2C=C(C=C4)Br.C1C2=C(C3=CC=CC=C3N=C1[O-])NC4=C2C=C(C=C4)Br.[Ga+3]

InChI

InChI=1S/3C16H11BrN2O.Ga/c3*17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14;/h3*1-7,19H,8H2,(H,18,20);/q;;;+3/p-3