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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:41, 9 January 2012 (Saving copy of the {{chembox}} taken from revid 444131311 of page Tanomastat for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 18:41, 9 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 444131311 of page Tanomastat for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 444131311 of page Tanomastat with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 4-(4'-chlorobiphenyl-4-yl)-4-oxo-2-butanoic acid
Identifiers
3D model (JSmol)
Beilstein Reference 10706708
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)Key: JXAGDPXECXQWBC-UHFFFAOYSA-N
  • InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)
  • InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)Key: JXAGDPXECXQWBC-UHFFFAOYSA-N
SMILES
  • Clc3ccc(c2ccc(C(=O)CC(C(=O)O)CSc1ccccc1)cc2)cc3
Properties
Chemical formula C23H19ClO3S
Molar mass 410.91 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound