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Substance Name: Copper, (N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyanine-C,C,C-trisulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-
RN: 67800-99-1
InChIKey: HJHOLSADRBKEPI-UHFFFAOYSA-N

Molecular Formula

  • C56-H67-Cu-N11-O6-S3

Molecular Weight

  • 1149.96
 
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Names and Synonyms

Synonyms

  • Copper, (N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyaninetrisulfonamidato(2-)-N29,N30,N31,N32)-
  • EINECS 267-120-5

Systematic Names

  • (N,N,N',N',N'',N''-Hexabutyl-29H,31H-phthalocyaninetrisulphonamidato(2-)-N29,N30,N31,N32)copper
  • Copper, (N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyanine-C,C,C-trisulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-

Registry Numbers

CAS Registry Number

  • 67800-99-1

System Generated Number

  • 0067800991

Structure Descriptors

InChI

1S/C56H67N11O6S3.Cu/c1-7-13-31-65(32-14-8-2)74(68,69)38-29-30-41-44(37-38)54-58-49-39-23-19-20-24-40(39)50(57-49)61-55-47-42(25-21-27-45(47)75(70,71)66(33-15-9-3)34-16-10-4)52(63-55)60-53-43-26-22-28-46(48(43)56(64-53)62-51(41)59-54)76(72,73)67(35-17-11-5)36-18-12-6;/h19-30,37H,7-18,31-36H2,1-6H3;/q-2;+2

InChIKey

HJHOLSADRBKEPI-UHFFFAOYSA-N

Smiles

[Cu+2].CCCCN(S(c1c2c(c3nc4c5cccc(S(N(CCCC)CCCC)(=O)=O)c5c(n4)nc4[n-]c(c5c4ccc(S(N(CCCC)CCCC)(=O)=O)c5)nc4nc(c5ccccc45)nc2[n-]3)ccc1)(=O)=O)CCCC