Pigment Red 242

Pigment Red 242



Chemical identification
CAS identifier52238-92-3
Pubchem identifier104133
DSSTox identifierDTXSID7052159
IUPAC name4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-N-[2,5-dichloro-4-[[4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
StructurePigment Red 242

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESClc1cc(NC(=O)c2cc3ccccc3c(c2O)/N=N/c2cc(ccc2Cl)C(F)(F)F)c(cc1NC(=O)c1cc2ccccc2c(c1O)/N=N/c1cc(ccc1Cl)C(F)(F)F)Cl
InChIInChI=1S/C42H22Cl4F6N6O4/c43-27-11-9-21(41(47,48)49)15-33(27)55-57-35-23-7-3-1-5-19(23)13-25(37(35)59)39(61)53-31-17-30(46)32(18-29(31)45)54-40(62)26-14-20-6-2-4-8-24(20)36(38(26)60)58-56-34-16-22(42(50,51)52)10-12-28(34)44/h1-18,59-60H,(H,53,61)(H,54,62)/b57-55+,58-56+
InChIKeyGEVPMCITMSGJKL-NCCSDIRBSA-N

Chemical classification
KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
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