MOLI000874
Molecular Formula:
C34H38N4O6Tc
InChI: InChI=1/C34H38N4O6.Tc/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/i;1+1/f/h41,43H;
InChIKey: InChIKey=WQMMNAMYLOZTBU-NCTKVISAHM
SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.[Tc]
Names:
MOLI000874
Registries:
PubChem CID 450438
PubChem ID 855
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