MOLI000898
Molecular Formula:
C44H30GdN4O12S4+3
InChI: InChI=1/C44H30N4O12S4.Gd/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;/h1-24,45-46H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);/q;+3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;/f/h49,52,55,58H;
InChIKey: InChIKey=ZYCDCYGSTLOTBH-ZJBDJJTDDR
SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O.[Gd+3]
Names:
MOLI000898
Registries:
PubChem CID 450458
PubChem ID 878
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