inositol nicotinate

More details:

• Systematic name

  1,2,3,4,5,6-Cyclohexanehexayl hexanicotinate

• SMILES

  c1cncc(c1)C(=O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2OC(=O)c3cnccc3)OC(=O)c4cnccc4)OC(=O)c5cnccc5)OC(=O)c6cnccc6)OC(=O)c7cnccc7

• Std. InChi

  InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-

• Std. InChIKey

  MFZCIDXOLLEMOO-GYSGTQPESA-N

• Cite this record

  CSID:16736141, http://www.chemspider.com/Chemical-Structure.16736141.html (accessed 12:42, Apr 25, 2024)