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Substance Name: 5,10,15,20-Tetra(4-N-sulfoethylpyridinim)porphyrin
RN: 88954-77-2
InChIKey: MQKTWAQKEINNGI-UDTYQVGYSA-N

Note

  • Used for determination of lead in tap water.

Molecular Formula

  • C48-H42-N8-O12-S4

Molecular Weight

  • 1051.1678
 
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Names and Synonyms

Name of Substance

  • 5,10,15,20-Tetra(4-N-sulfoethylpyridinim)porphyrin

Synonym

  • 5-Tnspp

Systematic Names

  • Pyridinium, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-(2-sulfoethyl)-, tetrahydroxide, tetrakis (inner salt)
  • Pyridinium, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-(2-sulfoethyl)-, tetrahydroxide, tetrakis(inner salt)

Registry Numbers

CAS Registry Number

  • 88954-77-2

System Generated Number

  • 0088954772

Structure Descriptors

InChI

1S/C48H42N8O12S4/c57-69(58,59)27-23-53-19-13-33(14-20-53)45-37-5-9-41(49-37)47(35-3-1-17-55(31-35)25-29-71(63,64)65)42-10-6-38(50-42)46(34-15-21-54(22-16-34)24-28-70(60,61)62)40-8-12-44(52-40)48(43-11-7-39(45)51-43)36-4-2-18-56(32-36)26-30-72(66,67)68/h1-22,31-32H,23-30H2,(H2-3,49,50,51,52,57,58,59,60,61,62,63,64,65,66,67,68)/b45-37-,45-39-,46-38-,46-40-,47-41-,47-42-,48-43-,48-44-

InChIKey

MQKTWAQKEINNGI-UDTYQVGYSA-N

Smiles

[O-]S(=O)(=O)CC[n+]1ccc(cc1)c2c3C=Cc([nH]3)c(c4ccc[n+](CCS(=O)(=O)[O-])c4)c5ccc(n5)c(c6cc[n+](CCS(=O)(=O)[O-])cc6)c7ccc([nH]7)c(c8ccc[n+](CCS(=O)(=O)[O-])c8)c9ccc2n9