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Substance Name: Dicyano-cobalt(III)-tetrakis(4-sulfonatophenyl)porphyrin
RN: 129232-35-5
InChIKey: UCSJITYNJWWLCX-NBICUONBSA-N

Molecular Formula

  • C46-H24-Co-N6-O12-S4.4H

Molecular Weight

  • 1043.9542
 
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Names and Synonyms

Name of Substance

  • Dicyano-cobalt(III)-tetrakis(4-sulfonatophenyl)porphyrin

Synonyms

  • (OC-6-12)-Bis(cyano-C)((4,4',4'',4'''-(21H,23H-prophine-5,10,15,20-tetrayl)tetrakis(benzenesulfonato))(6-)-N21,N22,N23,N24)cobaltate(5-) tetrahydrogen
  • CN2-Co(III)-Tpps

Systematic Name

  • Cobaltate(5-), bis(cyano-C)((4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonato))(6-)-N21,N22,N23,N24)-, tetrahydrogen, (OC-6-12)-

Registry Numbers

CAS Registry Number

  • 129232-35-5

System Generated Number

  • 0129232355

Molecular Formulas

Molecular Formula

  • C46-H24-Co-N6-O12-S4.4H

Molecular Formula Fragments

  • C46-H24-Co-N6-O12-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C44H28N4O12S4.2CN.Co/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;2*1-2;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q-2;2*-1;+3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;

InChIKey

UCSJITYNJWWLCX-NBICUONBSA-N

Smiles

[H+].[H+].[H+].[H+].[C-]#N.[C-]#N.c1c(ccc(c1)S(=O)(=O)[O-])/c/2c\3/nc(/c(c/4\[n-]/c(c(\c5n/c(c(\c6[n-]c2cc6)/c7ccc(cc7)S(=O)(=O)[O-])/C=C5)/c8ccc(cc8)S(=O)(=O)[O-])/cc4)/c9ccc(cc9)S(=O)(=O)[O-])C=C3.[Co+3]