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Substance Name: Tricatechol hexalactam-lead(II) complex
RN: 130343-58-7
InChIKey: NFHVBNDVYFOROW-UHFFFAOYSA-L

Note

  • Macrocyclic complex.

Molecular Formula

  • C42-H30-N6-O12-Pb.4H4-N

Molecular Weight

  • 1090.0834
 
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Names and Synonyms

Name of Substance

  • Tricatechol hexalactam-lead(II) complex

Synonym

  • Hexalactam-lead

Systematic Name

  • Plumbate(4-), (8,9,23,24,35,36-hexahydroxy-5,12,20,27,32,39-hexaazaheptacyclo(14.14.10.2(7,10).2(22,25).2(34,37).1(3,29).1(14,18))octatetraconta-(1,3(43),7,9,14,16,18(46),22,24,29,34,36,41,44,47-pentadecaene-6,11,21,26,33,38-hexonato(6-)-O8,O9,O23,O24,O35,O36))-, tetrammonium, (OC-6-11)-

Registry Numbers

CAS Registry Number

  • 130343-58-7

System Generated Number

  • 0130343587

Molecular Formulas

Molecular Formula

  • C42-H30-N6-O12-Pb.4H4-N

Molecular Formula Fragments

  • C42-H30-N6-O12-Pb
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C42H36N6O12.4H3N.Pb/c49-31-25-3-4-26(32(31)50)38(56)44-14-20-9-21-11-22(10-20)16-46-40(58)28-6-8-30(36(54)34(28)52)42(60)48-18-24-12-19(13-43-37(25)55)1-2-23(24)17-47-41(59)29-7-5-27(33(51)35(29)53)39(57)45-15-21;;;;;/h1-12,49-54H,13-18H2,(H,43,55)(H,44,56)(H,45,57)(H,46,58)(H,47,59)(H,48,60);4*1H3;/q;;;;;+2/p-2

InChIKey

NFHVBNDVYFOROW-UHFFFAOYSA-L

Smiles

c1cc2c3cc1CNC(=O)c4ccc(c(c4[O-])[O-])C(=O)NCc5cc(cc(c5)CNC(=O)c6ccc(c(c6[O-])[O-])C(=O)NC3)CNC(=O)c7ccc(c(c7[O-])[O-])C(=O)NC2.[NH4+].[NH4+].[NH4+].[NH4+].[Pb+2]