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Substance Name: Cuprate(3-), (29H,31H-phthalocyanine-C,C,C-trisulfonato(5-)-kappaN29,kappaN30,kappaN31,kappaN32)-, hydrogen, compd. with 2,2',2''-nitrilotris(ethanol) (1:3:3)
RN: 84823-11-0
InChIKey: RDZVUJCZLYJARI-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C32-H13-Cu-N8-O9-S3.3C6-H15-N-O3.3H

Molecular Weight

  • 1265.8507
 
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Names and Synonyms

  • Cuprate(3-), (29H,31H-phthalocyanine-C,C,C-trisulfonato(5-)-kappaN29,kappaN30,kappaN31,kappaN32)-, hydrogen, compd. with 2,2',2''-nitrilotris(ethanol) (1:3:3)
  • Cuprate(3-), (29H,31H-phthalocyanine-C,C,C-trisulfonato(5-)-N29,N30,N31,N32)-, trihydrogen, compd. with 2,2',2''-nitrilotris(ethanol) (1:3)

Registry Numbers

CAS Registry Number

  • 84823-11-0

System Generated Number

  • 0084823110

Molecular Formulas

Molecular Formula

  • C32-H13-Cu-N8-O9-S3.3C6-H15-N-O3.3H

Molecular Formula Fragments

  • C32-H13-Cu-N8-O9-S3
  • C6-H15-N-O3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C32H18N8O9S3.3C6H15NO3.Cu/c41-50(42,43)14-5-8-19-22(11-14)30-36-26-18-4-2-1-3-17(18)25(33-26)34-27-20-9-6-15(51(44,45)46)12-23(20)31(38-27)40-32-24-13-16(52(47,48)49)7-10-21(24)29(39-32)35-28(19)37-30;3*8-4-1-7(2-5-9)3-6-10;/h1-13H,(H5-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49);3*8-10H,1-6H2;/q-2;;;;+2

InChIKey

RDZVUJCZLYJARI-UHFFFAOYSA-N

Smiles

OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.O=S1(=O)O[Cu-3]234OS(=O)(=O)c5ccc6c7\N=C\8/N2\C(=N/c9[nH]c(\N=C\%10/N3\C(=N/c([nH]7)c6c5)\c%11ccccc%10%11)c%12ccc(cc9%12)S(=O)(=O)O4)\c%13cc1ccc8%13