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Reference substances

Reference substances

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General information

Inventory

EC number:
226-971-2
EC name:
3,3'-[(2,5-dichloro-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(5-chloro-o-tolyl)benzamide]
CAS number:
5580-58-5

No inventory information available

Reference substance information

IUPAC name:
3,3'-{(2,5-dichloro-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-N-(5-chloro-2-methylphenyl)benzamide]
Synonyms
Names:
3,3'-[(2,5-dichloro-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-n-(5-chloro-o-tolyl)benzamide]
Benzamide, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(5-chloro-2-methylphenyl)-

CAS information

CAS number:
5580-58-5

Molecular and structural information

Molecular formula:
C42H32Cl6N8O6
Molecular weight:
957.471
SMILES notation:
Cc1c(cc(cc1)Cl)NC(=O)c2cc(c(cc2)Cl)/N=N/C(C(=O)Nc3c(cc(c(c3)Cl)NC(=O)C(/N=N/c4c(ccc(c4)C(=O)Nc5c(ccc(c5)Cl)C)Cl)C(=O)C)Cl)C(=O)C
InChl:
InChI=1S/C42H32Cl6N8O6/c1-19-5-9-25(43)15-31(19)49-39(59)23-7-11-27(45)35(13-23)53-55-37(21(3)57)41(61)51-33-17-30(48)34(18-29(33)47)52-42(62)38(22(4)58)56-54-36-14-24(8-12-28(36)46)40(60)50-32-16-26(44)10-6-20(32)2/h5-18,37-38H,1-4H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)/b55-53+,56-54+
Structural formula:
Chemical structure