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Reference substances

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IUPAC name:
3,3'-{(2-chloro-5-methyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-N-(3-chloro-2-methylphenyl)benzamide]

Inventory

EC number:
226-970-7
EC name:
3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide]
CAS number:
5580-57-4
CAS number:
5580-57-4

Synonyms

Molecular and structural information

Molecular formula:
C43H35Cl5N8O6
Molecular weight:
937.053
SMILES notation:
Cc1cc(c(cc1NC(=O)C(C(=O)C)/N=N/c2cc(ccc2Cl)C(=O)Nc3cccc(c3C)Cl)Cl)NC(=O)C(C(=O)C)/N=N/c4cc(ccc4Cl)C(=O)Nc5cccc(c5C)Cl
InChl:
InChI=1S/C43H35Cl5N8O6/c1-20-16-35(52-43(62)39(24(5)58)56-54-37-18-26(13-15-30(37)47)41(60)50-33-11-7-9-28(45)22(33)3)31(48)19-34(20)51-42(61)38(23(4)57)55-53-36-17-25(12-14-29(36)46)40(59)49-32-10-6-8-27(44)21(32)2/h6-19,38-39H,1-5H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)/b55-53+,56-54+
Structural formula:
Chemical structure

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