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Reference substances

Reference substances

Currently viewing:
IUPAC name:
3,3'-[(2-methyl-1,3-phenylene)diimino]bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)

Inventory

EC number:
225-744-5
EC name:
3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
CAS number:
5045-40-9
CAS number:
5045-40-9
Synonyms
Names:
1H-Isoindol-1-one, 3,3'- (2-methyl-1,3-phenylene)diimino bis 4,5,6,7-tetrachloro-
1H-Isoindol-1-one, 3,3'-[(2-methyl-1,3-phenylene) diimino]bis[4,5,6,7-tetrachloro-
Identifier:
IUPAC name
4,5,6,7-tetrachloro-3-((2-methyl-3-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl)amino)-1H-isoindol-1-one
Identifier:
other: SMILES notation
CC1=C(C=CC=C1NC2=NC(=O)C3=C"C(=C(C(=C3Cl)Cl)Cl)Cl)NC4=NC(=O)C5=C4C(=C(C(=C5Cl)Cl)Cl)Cl

Molecular and structural information

Molecular formula:
C23H8Cl8N4O2
Molecular weight:
655.959
SMILES notation:
Cc1c(NC2=NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)cccc1NC4=NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45
InChl:
InChI=1/C23H8Cl8N4O2/c1-5-6(32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24)3-2-4-7(5)33-21-9-11(23(37)35-21)15(27)19(31)17(29)13(9)25/h2-4H,1H3,(H,32,34,36)(H,33,35,37)
Structural formula:
Chemical structure

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