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Substance Name: Cobyrinic acid
RN: 33593-50-9
InChIKey: SXATWJGWOIKDIW-UHFFFAOYSA-M

Molecular Formula

  • C45-H59-Co-N4-O14

Molecular Weight

  • 938.9081
 
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Names and Synonyms

Name of Substance

  • Cobyrinic acid

Systematic Name

  • Cobyrinic acid

Registry Numbers

CAS Registry Number

  • 33593-50-9

System Generated Number

  • 0033593509

Structure Descriptors

InChI

1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1

InChIKey

SXATWJGWOIKDIW-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)O)(C)C)CCC(=O)O)(C)CC(=O)O)/C)CCC(=O)O)(C)CC(=O)O)C)CC(=O)O)(C)CCC(=O)O.[Co+3]