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Substance Name: Copper, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, chlorosulfonyl sulfo derivs., compds. with 2-(dimethylamino)ethanol
RN: 90247-35-1
InChIKey: KUZMXDMKQSTJFR-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C32-H16-Cu-N8.C4-H11-N-O

Molecular Weight

  • 665.217
 
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Names and Synonyms

Synonym

  • Copper (chlorosulfonyl)sulfophthalocyanine (1:X:X:1), 2-(dimethylamino)ethanol salts

Systematic Names

  • Copper, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, chlorosulfonyl sulfo derivs., compds. with 2-(dimethylamino)ethanol
  • Copper, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, chlorosulfonyl sulfo derivs., compds. with 2-(dimethylamino)ethanol

Registry Numbers

CAS Registry Number

  • 90247-35-1

System Generated Number

  • 0090247351

Molecular Formulas

Molecular Formula

  • C32-H16-Cu-N8.C4-H11-N-O

Molecular Formula Fragments

  • C32-H16-Cu-N8
  • C4-H11-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C32H16N8.C4H11NO.Cu/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;1-5(2)3-4-6;/h1-16H;6H,3-4H2,1-2H3;/q-2;;+2

InChIKey

KUZMXDMKQSTJFR-UHFFFAOYSA-N

Smiles

C(CN(C)C)O.[Cu+2].c1ccc2c3[n-]c(c2c1)nc1nc(c2ccccc12)nc1c2ccccc2c(nc2c4ccccc4c(n2)n3)[n-]1