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Substance Name: Nickelate(4-), (22-(((4-sulfophenyl)amino)sulfonyl)-29H,31H-phthalocyanine-1,8,15-trisulfonato(6-)-kappaN29,kappaN30,kappaN31,kappaN32)-, hydrogen (1:4), (SP-4-2)-
RN: 70729-79-2
InChIKey: MUZVDXSUBSNMIZ-UHFFFAOYSA-N

Molecular Formula

  • C38-H17-N9-Ni-O14-S5.4H

Molecular Weight

  • 1046.6559
 
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Names and Synonyms

  • Nickelate(4-), (22-(((4-sulfophenyl)amino)sulfonyl)-29H,31H-phthalocyanine-1,8,15-trisulfonato(6-)-kappaN29,kappaN30,kappaN31,kappaN32)-, hydrogen (1:4), (SP-4-2)-
  • Nickelate(4-), (22-(((4-sulfophenyl)amino)sulfonyl)-29H,31H-phthalocyanine-1,8,15-trisulfonato(6-)-kappaN29,kappaN30,kappaN31,kappaN32)-, tetrahydrogen, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 70729-79-2

System Generated Number

  • 0070729792

Molecular Formulas

Molecular Formula

  • C38-H17-N9-Ni-O14-S5.4H

Molecular Formula Fragments

  • C38-H17-N9-Ni-O14-S5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C38H21N9O14S5.Ni/c48-62(49,47-17-13-15-18(16-14-17)63(50,51)52)23-9-1-5-19-27(23)35-39-31(19)41-36-29-21(7-3-11-25(29)65(56,57)58)33(43-36)45-38-30-22(8-4-12-26(30)66(59,60)61)34(46-38)44-37-28-20(32(40-35)42-37)6-2-10-24(28)64(53,54)55;/h1-16,47H,(H4-2,39,40,41,42,43,44,45,46,50,51,52,53,54,55,56,57,58,59,60,61);/q-2;+2

InChIKey

MUZVDXSUBSNMIZ-UHFFFAOYSA-N

Smiles

[H+].[H+].[H+].[H+].c1cc\2c(c(c1)S(=O)(=O)[O-])/c/3n/c-4n/c(n\c5c6cccc(c6c/7n5[Ni]n3/c2n\c-8n/c(n7)/c9c8c(ccc9)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])/c1c4cccc1S(=O)(=O)[O-]