CAS Registry Number®
84989-53-7
CAS Name
Cobalt(1+), bis(N,N-dimethyl-1,3-propanediamine-N)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, chloride, (OC-6-12)-
Molecular Formula
C42H44CoN12.Cl
Other Names and Identifiers
InChI
InChI=1S/C32H16N8.2C5H14N2.ClH.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;2*1-7(2)5-3-4-6;;/h1-16H;2*3-6H2,1-2H3;1H;/q-2;;;;+3/p-1
InChIKey
InChIKey=ZUNSEHIYUFMPKG-UHFFFAOYSA-M
SMILES
[N](CCCN)(C)(C)[Co+3]123([N](CCCN)(C)C)[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.[Cl-]
Canonical SMILES
[Cl-].N=1C=2C=3C=CC=CC3C4=NC5=C6C=CC=CC6=C7N=C8C=9C=CC=CC9C=%10N=C%11C=%12C=CC=CC%12C1[N-]%11[Co+3]([N]24)([N]%108)([N-]57)([N](C)(C)CCCN)[N](C)(C)CCCN
Other Names for this Substance
- Cobalt(1+), bis(N,N-dimethyl-1,3-propanediamine-N)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, chloride, (OC-6-12)-
- 1,3-Propanediamine, N,N-dimethyl-, cobalt complex
- 29H,31H-Phthalocyanine, cobalt complex
