Chemical identification
CAS identifier5590-18-1
Pubchem identifier135481899
DSSTox identifierDTXSID4052219
IUPAC name4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
Structure3,3'-(1,4-Phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESClc1c2/C(=N/c3ccc(cc3)/N=C/3NC(=O)c4c3c(Cl)c(Cl)c(c4Cl)Cl)/NC(=O)c2c(c(c1Cl)Cl)Cl
InChIInChI=1S/C22H6Cl8N4O2/c23-11-7-9(13(25)17(29)15(11)27)21(35)33-19(7)31-5-1-2-6(4-3-5)32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24/h1-4H,(H,31,33,35)(H,32,34,36)
InChIKeyQRFIXNBFUBOBTH-UHFFFAOYSA-N

Chemical classification
KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIsoindoles and derivatives
DISCLAIMER

TICToK is a database of tattoo ink chemicals compiled from different regulatory resources. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on tattoo ink chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.