Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Copper, (N2,N16-dibutyl-N9,N23-bis(2-ethylhexyl)-29H,31H-phthalocyanine-2,9,16,23-tetrasulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-
RN: 71566-25-1
InChIKey: KQIPXEHYJXCLEK-UHFFFAOYSA-N

Molecular Formula

  • C56-H68-Cu-N12-O8-S4

Molecular Weight

  • 1229.04
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Copper, (N2,N16-dibutyl-N9,N23-bis(2-ethylhexyl)-29H,31H-phthalocyanine-2,9,16,23-tetrasulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-
  • Copper, (N2,N16-dibutyl-N9,N23-bis(2-ethylhexyl)-29H,31H-phthalocyanine-2,9,16,23-tetrasulfonamidato(2-)-N29,N39,N31,N32)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 71566-25-1

System Generated Number

  • 0071566251

Structure Descriptors

InChI

1S/C56H68N12O8S4.Cu/c1-7-13-17-35(11-5)33-59-79(73,74)39-21-25-43-47(31-39)55-65-49-41-23-19-37(77(69,70)57-27-15-9-3)29-45(41)54(61-49)64-52-44-26-22-40(80(75,76)60-34-36(12-6)18-14-8-2)32-48(44)56(68-52)66-50-42-24-20-38(78(71,72)58-28-16-10-4)30-46(42)53(62-50)63-51(43)67-55;/h19-26,29-32,35-36,57-60H,7-18,27-28,33-34H2,1-6H3;/q-2;+2

InChIKey

KQIPXEHYJXCLEK-UHFFFAOYSA-N

Smiles

[Cu+2].c1(ccc2c(c1)c1nc2nc2[n-]c(nc3nc(c4ccc(cc34)S(NC[C@@H](CCCC)CC)(=O)=O)nc3c4cc(ccc4c(n1)[n-]3)S(NCCCC)(=O)=O)c1c2cc(cc1)S(NCCCC)(=O)=O)S(NC[C@@H](CC)CCCC)(=O)=O