PubChem6596096

Molecular Formula: C42H49N6NiO13


InChI: InChI=1/C42H50N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,19-20,22-23,26-27H,3-12,14-17H2,1-2H3,(H9,43,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q-2;+3/p-1/fC42H49N6O13.Ni/h48,52,54,56,58,60H,43H2;/q-3;m

InChIKey: InChIKey=GYTCYCYCZFADOK-COZVUYRPCD
SMILES: CC12CC(=O)NC13CC4C(C(C(=N4)CC5=C(C6=C([N-]5)C(=C7C(C(C(=CC(C2CCC(=O)O)[N-]3)[N-]7)CC(=O)O)CCC(=O)O)C(=O)CC6)CC(=O)O)(C)CC(=O)N)CCC(=O)O.[Ni+3]

Names:
    PubChem6596096

Registries:
    PubChem CID 3319
    PubChem ID 6596096