iron(3+); quinoline-8-thiolate

Systemtic Name: iron(3+); quinoline-8-thiolate Openeye Name: ferric quinoline-8-thiolate CAS Name: iron(3+); 8-quinolinethiolate IUPAC Name: iron(3+); quinoline-8-thiolate Traditional Name: ferric quinoline-8-thiolate Formula: C27H18FeN3S3 MolecularWeight: 536.49192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[S-])N=CC=C2.C1=CC2=C(C(=C1)[S-])N=CC=C2.C1=CC2=C(C(=C1)[S-])N=CC=C2.[Fe+3]

Isomeric SMILES

C1=CC2=C(C(=C1)[S-])N=CC=C2.C1=CC2=C(C(=C1)[S-])N=CC=C2.C1=CC2=C(C(=C1)[S-])N=CC=C2.[Fe+3]

InChI

InChI=1S/3C9H7NS.Fe/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3