MOLI000856
Molecular Formula:
C32H16N8O12S4Tc
InChI: InChI=1/C32H16N8O12S4.Tc/c41-53(42,43)13-1-5-17-21(9-13)29-35-25(17)33-26-18-6-2-14(54(44,45)46)10-22(18)31(36-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(38-32)34-27-19-7-3-15(55(47,48)49)11-23(19)30(37-27)39-29;/h1-12H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);/b33-25-,33-26-,34-27-,34-28-,39-29-,39-30-,40-31-,40-32-;/i;1+1/f/h41,44,47,50H;
InChIKey: InChIKey=CEEPPGUBYZXHTB-VCVNFYLPHS
SMILES: C1=CC2=C(C=C1S(=O)(=O)O)C3=NC2=NC4=NC(=NC5=NC(=NC6=NC(=N3)C7=C6C=CC(=C7)S(=O)(=O)O)C8=C5C=C(C=C8)S(=O)(=O)O)C9=C4C=CC(=C9)S(=O)(=O)O.[Tc]
Names:
MOLI000856
Registries:
PubChem CID 450424
PubChem ID 839
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