Cobyrinic acid-abcdeg-hexamide
CAS Registry Number®
14708-92-0
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CAS Name
Cobyrinic acid-abcdeg-hexamideMolecular Formula
C45H65CoN10O8Cite this Page
Cobyrinic acid-abcdeg-hexamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=14708-92-0 (retrieved ) (CAS RN: 14708-92-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H66N10O8.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1
InChIKey
InChIKey=BORCAUPXFYNHHW-UHFFFAOYSA-M
SMILES
CC12[N]=3[Co+3]45[N-]6C1C(CC(N)=O)C(CCC(O)=O)(C)C6=C(C)C7=[N]4C(=CC8=[N]5C(=C(C)C3C(CCC(N)=O)C2(CC(N)=O)C)C(CC(N)=O)(C)C8CCC(N)=O)C(C)(C)C7CCC(N)=O
Canonical SMILES
O=C(O)CCC1(C2=C(C3=[N]4C(=CC5=[N]6C(=C(C7=[N]8C(C)(C([N-]2[Co+3]468)C1CC(=O)N)C(C)(CC(=O)N)C7CCC(=O)N)C)C(C)(CC(=O)N)C5CCC(=O)N)C(C)(C)C3CCC(=O)N)C)C
Other Names for this Substance
- Cobyrinic acid-abcdeg-hexamide
- Cobyric acid
