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Substance Name: Phenolyl cobamide
RN: 125939-05-1
InChIKey: ONRLUVOBXGMCGM-UHFFFAOYSA-M

Molecular Weight

  • 1322.3223
 
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Names and Synonyms

  • Phenolyl cobamide

Registry Numbers

CAS Registry Number

  • 125939-05-1

System Generated Number

  • 0125939051

Structure Descriptors

InChI

1S/C59H86N11O15P.CN.Co.H2O/c1-29(84-86(80,81)85-50-38(28-71)83-54(49(50)79)82-32-13-11-10-12-14-32)27-66-46(78)21-22-56(6)36(23-43(63)75)53-59(9)58(8,26-45(65)77)35(17-20-42(62)74)48(70-59)31(3)52-57(7,25-44(64)76)33(15-18-40(60)72)37(67-52)24-39-55(4,5)34(16-19-41(61)73)47(68-39)30(2)51(56)69-53;1-2;;/h10-14,24,29,33-36,38,49-50,53-54,71,79H,15-23,25-28H2,1-9H3,(H15,60,61,62,63,64,65,66,67,68,69,70,72,73,74,75,76,77,78,80,81);;;1H2/q;-1;+3;/p-1

InChIKey

ONRLUVOBXGMCGM-UHFFFAOYSA-M

Smiles

C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)Oc7ccccc7)CO.[C-]#N.O.[Co+3]