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Substance Name: Tin(IV) chlorin e6
RN: 128835-29-0
InChIKey: FNPOHMCPKIQLBU-UHFFFAOYSA-J

Molecular Formula

  • C34-H31-N4-O6-Sn.H

Molecular Weight

  • 711.359
 
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Names and Synonyms

Name of Substance

  • Tin(IV) chlorin e6

Synonyms

  • (SP-4-2-(2S-trans))-(18-Carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N21,N22,N23,N24)stannate(1-) hydrogen
  • SnCe6

Systematic Name

  • Stannate(1-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N21,N22,N23,N24)-, hydrogen, (SP-4-2-(2S-trans))-

Registry Numbers

CAS Registry Number

  • 128835-29-0

System Generated Number

  • 0128835290

Molecular Formulas

Molecular Formula

  • C34-H31-N4-O6-Sn.H

Molecular Formula Fragments

  • C34-H31-N4-O6-Sn
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C34H36N4O6.Sn/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+4/p-4

InChIKey

FNPOHMCPKIQLBU-UHFFFAOYSA-J

Smiles

c12[C@@H]([C@@H](CCC([O-])=O)c(c(CC([O-])=O)c3[n-]c(cc4C(=C(c(n4)cc4c(c(c([n-]4)c1)C)C=C)C)CC)c(C)c3C([O-])=O)n2)C.[Sn+4]