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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 15:38, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 399207460 of page 2-(1-Hexyloxyethyl)-2-devinyl_pyropheophorbide-a for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 15:38, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 399207460 of page 2-(1-Hexyloxyethyl)-2-devinyl_pyropheophorbide-a for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 399207460 of page 2-(1-Hexyloxyethyl)-2-devinyl_pyropheophorbide-a with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
Other names Photochlor
Identifiers
3D model (JSmol)
Abbreviations HPPH
ChemSpider
PubChem CID
InChI
  • InChI=1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,40-41H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1Key: ODJVLHDVEGAIAW-NMWXTPPCSA-N
  • InChI=1/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,40-41H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1Key: ODJVLHDVEGAIAW-NMWXTPPCBI
SMILES
  • CCCCCCOC(C)C1=C2C=C3C(=C(C(=CC4=NC5=C(CC(=O)C5=C4C)C6=NC(=CC(=C1C)N2)(6CCC(=O)O)C)N3)CC)C
  • O=C(O)CC6c2nc(cc5c(c(c(cc1c(c(c(n1)cc\3nc4c2CC(=O)\C4=C/3C)CC)C)n5)C(OCCCCCC)C)C)6C
Properties
Chemical formula C39H48N4O4
Molar mass 636.837 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound