PubChem15090585

Molecular Formula: C₈₅H₁₂₉CoN₁₇O₁₆PS⁺²

InChI: InChI=1/C84H129N16O16PS.CN.Co/c1-46-36-56-58(37-47(46)2)100(45-93-56)78-73(110)74(59(43-101)114-78)116-117(112,113)115-48(3)42-92-69(109)32-33-81(8)54(38-64(87)104)77-84(11)83(10,41-66(89)106)53(27-30-63(86)103)71(99-84)50(5)76-82(9,40-65(88)105)51(26-29-62(85)102)55(94-76)39-61-80(6,7)52(70(96-61)49(4)75(81)98-77)28-31-68(108)91-35-23-19-17-15-13-12-14-16-18-22-34-90-67(107)25-21-20-24-60-72-57(44-118-60)95-79(111)97-72;1-2;/h36-37,39,45,48,51-54,57,59-60,72-74,77-78,94,101,110H,12-35,38,40-44H2,1-11H3,(H2,85,102)(H2,86,103)(H2,87,104)(H2,88,105)(H2,89,106)(H,90,107)(H,91,108)(H,92,109)(H,112,113)(H2,95,97,111);;/q;-1;+3/b55-39-,70-49-,76-50-;;/t48-,51+,52+,53+,54-,57-,59+,60-,72-,73+,74+,77?,78-,81+,82-,83-,84-;;/m0../s1/f/h90-92,95,97,112H,85-89H2;;

InChIKey: InChIKey=BLARNIKBVUQTAD-VBHMOYTMDU
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)NCCCCCCCCCCCCNC(=O)CCCCC9C1C(CS9)NC(=O)N1)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

Names:
    PubChem15090585

Registries:
    PubChem CID 10103077
    PubChem ID 15090585