F7T

alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex

Created: 2018-06-07
Last modified:  2018-07-25

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Chemical Details

Formal Charge2
Atom Count40
Chiral Atom Count0
Bond Count43
Aromatic Bond Count16
2D diagram of F7T

Chemical Component Summary

Namealkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex
FormulaC15 H15 Cl2 N3 O3 Pt S
Molecular Weight583.347
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O
Canonical SMILESCACTVS3.385 O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O
InChIInChI1.03 InChI=1S/C15H15N3O3S.2ClH.Pt/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13;;;/h1-4,6-9H,5,10-11H2,(H,19,20,21);2*1H;/q;;;+4/p-2
InChIKeyInChI1.03 IZMHGJJPSRRFIR-UHFFFAOYSA-L