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Substance Name: TPCS2A
RN: 501083-97-2
UNII: P4BBY8S91N
InChIKey: MVBCOYVJSZKRIV-JAAFTSFNSA-N

Molecular Formula

  • C44-H32-N4-O6-S2

Molecular Weight

  • 776.8908
 
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Names and Synonyms

Name of Substance

  • TPCS2A

Synonyms

  • Amphinex
  • Tetraphenyl chlorin disulfonate
  • TPCS2A
  • UNII-P4BBY8S91N

Registry Numbers

CAS Registry Number

  • 501083-97-2

FDA UNII

  • P4BBY8S91N

System Generated Number

  • 0501083972

Structure Descriptors

InChI

1S/C44H32N4O6S2/c49-55(50,51)31-15-11-29(12-16-31)43-37-23-21-35(46-37)41(27-7-3-1-4-8-27)33-19-20-34(45-33)42(28-9-5-2-6-10-28)36-22-24-38(47-36)44(40-26-25-39(43)48-40)30-13-17-32(18-14-30)56(52,53)54/h1-24,46-47H,25-26H2,(H,49,50,51)(H,52,53,54)/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-

InChIKey

MVBCOYVJSZKRIV-JAAFTSFNSA-N

Smiles

c1ccc(cc1)c2/c3ccc([nH]3)/c(c/4\nc(/c(c\5/cc/c(/[nH]5)c(/c6n\c2\C=C6)\c7ccccc7)/c8ccc(cc8)S(=O)(=O)O)CC4)/c9ccc(cc9)S(=O)(=O)O