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Substance Name: Titanium, oxo(29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-5-12)-
RN: 26201-32-1
InChIKey: SJHHDDDGXWOYOE-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C32-H16-N8-O-Ti

Molecular Weight

  • 576.4
 
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Names and Synonyms

  • Titanium, oxo(29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-5-12)-
  • Titanium, oxo(29H,31H-phthalocyaninato(2-)-N29,N39,N31,N32)-, (SP-5-12)-

Registry Numbers

CAS Registry Number

  • 26201-32-1

System Generated Number

  • 0026201321

Structure Descriptors

InChI

1S/C32H16N8.O.Ti/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;;/h1-16H;;/q-2;;+2

InChIKey

SJHHDDDGXWOYOE-UHFFFAOYSA-N

Smiles

[Ti+2]=O.n1c2nc(nc3c4c(c(nc5nc(c6c5cccc6)nc5[n-]c1c1c5cccc1)[n-]3)cccc4)c1c2cccc1