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Substance Name: 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)
RN: 63468-96-2
InChIKey: PSJVOLYPQPKNNS-UHFFFAOYSA-J

Molecular Formula

  • C16-H10-O12-S4.2Ca

Molecular Weight

  • 598.6314
 
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Names and Synonyms

Synonym

  • 1,3,6,8-Pyrenetetrasulfonic acid dicalcium salt

Systematic Name

  • 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)

Registry Numbers

CAS Registry Number

  • 63468-96-2

Related Registry Number

  • 6528-53-6 (Parent)

System Generated Number

  • 0063468962

Molecular Formulas

Molecular Formula

  • C16-H10-O12-S4.2Ca

Molecular Formula Fragments

  • C16-H10-O12-S4
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C16H10O12S4.2Ca/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10;;/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28);;/q;2*+2/p-4

InChIKey

PSJVOLYPQPKNNS-UHFFFAOYSA-J

Smiles

c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2].[Ca+2]