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Substance Name: Nickel(II) protoporphyrin IX
RN: 15415-30-2
InChIKey: IJROJBFZULUEEG-RGGAHWMASA-L

Molecular Formula

  • C34-H30-N4-Ni-O4.2H

Molecular Weight

  • 619.3438
 
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Names and Synonyms

Name of Substance

  • Nickel(II) protoporphyrin IX

Synonyms

  • Ni-Ppix
  • NSC 267102

Systematic Name

  • Nickelate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 15415-30-2

System Generated Number

  • 0015415302

Molecular Formulas

Molecular Formula

  • C34-H30-N4-Ni-O4.2H

Molecular Formula Fragments

  • C34-H30-N4-Ni-O4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C34H34N4O4.Ni/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

InChIKey

IJROJBFZULUEEG-RGGAHWMASA-L

Smiles

[H+].[H+].Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)[O-])\[n-]2)C(=C5C)CCC(=O)[O-])C)C=C)/C(=C3C=C)C.[Ni+2]