[[bis(5-nitroindazol-1-yl)amino]-sulfaniumylidene-methyl]sulfanium; iridium(3+)

Systemtic Name: [[bis(5-nitroindazol-1-yl)amino]-sulfaniumylidene-methyl]sulfanium; iridium(3+) Openeye Name: [[bis(5-nitroindazol-1-yl)amino]-sulfonio-methylene]sulfonium; iridium(3+) CAS Name: [[bis(5-nitro-1-indazolyl)amino]-sulfaniumylmethylidene]sulfonium; iridium(3+) IUPAC Name: [[bis(5-nitroindazol-1-yl)amino]-sulfaniumylmethylidene]sulfanium; iridium(3+) Traditional Name: [[bis(5-nitroindazol-1-yl)amino]-sulfonio-methylene]sulfonium; iridium(3+) Formula: C45H33IrN21O12S6+9 MolecularWeight: 1444.48402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=NN2N(C(=[SH+])[SH2+])N3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3.C1=CC2=C(C=C1[N+](=O)[O-])C=NN2N(C(=[SH+])[SH2+])N3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3.C1=CC2=C(C=C1[N+](=O)[O-])C=NN2N(C(=[SH+])[SH2+])N3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3.[Ir+3]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=NN2N(C(=[SH+])[SH2+])N3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3.C1=CC2=C(C=C1[N+](=O)[O-])C=NN2N(C(=[SH+])[SH2+])N3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3.C1=CC2=C(C=C1[N+](=O)[O-])C=NN2N(C(=[SH+])[SH2+])N3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3.[Ir+3]

InChI

InChI=1S/3C15H9N7O4S2.Ir/c3*23-21(24)11-1-3-13-9(5-11)7-16-18(13)20(15(27)28)19-14-4-2-12(22(25)26)6-10(14)8-17-19;/h3*1-8H,(H,27,28);/q;;;+3/p+6