CAS Registry Number®
83898-69-5
CAS Name
Cobalt, (1,2-ethanediamine-N)(1-imino-1H-isoindol-3-aminato-N2)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (OC-6-14)-
Molecular Formula
C42H30CoN13
Other Names and Identifiers
InChI
InChI=1S/C32H16N8.C8H6N3.C2H8N2.Co/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;9-7-5-3-1-2-4-6(5)8(10)11-7;3-1-2-4;/h1-16H;1-4H,(H2-,9,10,11);1-4H2;/q-2;-1;;+3
InChIKey
InChIKey=KIFYXJJCNVZHKY-UHFFFAOYSA-N
SMILES
[NH2](CCN)[Co+3]123([N-]4C=5C=6C(C4=NC7=[N]1C(=NC=8[N-]2C(=C9C8C=CC=C9)N=C%10[N]3=C(N5)C=%11C%10=CC=CC%11)C=%12C7=CC=CC%12)=CC=CC6)[N]=%13C(=N)C=%14C(C%13[NH-])=CC=CC%14
Canonical SMILES
N=C1C=2C=CC=CC2C([NH-])=[N]1[Co+3]345([N]6=C7N=C8C=9C=CC=CC9C(=NC=%10C=%11C=CC=CC%11C(=NC%12=C%13C=CC=CC%13=C(N=C6C=%14C=CC=CC7%14)[N-]%123)[N]%104)[N-]85)[NH2]CCN
Other Names for this Substance
- Cobalt, (1,2-ethanediamine-N)(1-imino-1H-isoindol-3-aminato-N2)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (OC-6-14)-
- 1H-Isoindol-3-amine, 1-imino-, cobalt complex
- 29H,31H-Phthalocyanine, cobalt complex
Deleted or Replaced CAS Registry Numbers
84989-54-8
