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Substance Name: Copper phthalocyaninetetrasulfonic acid, 2-(dimethylamino)ethanol salt
RN: 90130-10-2
InChIKey: KKHHBDMOISXIAX-UHFFFAOYSA-N

Molecular Formula

  • C32-H12-Cu-N8-O12-S4.C4-H11-N-O.4H

Molecular Weight

  • 985.4693
 
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Names and Synonyms

Results Name

  • Copper phthalocyaninetetrasulfonic acid, 2-(dimethylamino)ethanol salt

Synonym

  • Copper phthalocyaninetetrasulfonic acid, 2-(dimethylamino)ethanol salt (1:4)

Systematic Names

  • Cuprate(4-), (29H,31H-phthalocyanine-C,C,C,C-tetrasulfonato(6-)-kappaN29,kappaN30,kappaN31,kappaN32)-, hydrogen, compd. with 2-(dimethylamino)ethanol (1:4:1)
  • Cuprate(4-), (29H,31H-phthalocyanine-C,C,C,C-tetrasulfonato(6-)-kappaN29,kappaN30,kappaN31,kappaN32)-, tetrahydrogen, compd. with 2-(dimethylamino)ethanol (1:1)

Registry Numbers

CAS Registry Number

  • 90130-10-2

System Generated Number

  • 0090130102

Molecular Formulas

Molecular Formula

  • C32-H12-Cu-N8-O12-S4.C4-H11-N-O.4H

Molecular Formula Fragments

  • C32-H12-Cu-N8-O12-S4
  • C4-H11-N-O
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C32H16N8O12S4.C4H11NO.Cu/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;1-5(2)3-4-6;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);6H,3-4H2,1-2H3;/q-2;;+2

InChIKey

KKHHBDMOISXIAX-UHFFFAOYSA-N

Smiles

CN(C)CCO.[O-]S(=O)(=O)c1ccc2C3=N\C(=N/c4c5ccc(cc5c6\N=C\7/N=C(\N=C\8/N([Cu]n46)\C(=N/3)\c9cc(ccc89)S(=O)(=O)[O-])c%10ccc(cc7%10)S(=O)(=O)[O-])S(=O)(=O)[O-])\c2c1