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Reference substances

Reference substances

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General information

Inventory

EC number:
279-356-6
EC name:
3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide]
CAS number:
79953-85-8

No inventory information available

Reference substance information

Synonyms
Names:
Benzamide, 3,3'-[(2-chloro-5-methyl- 1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl )azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethy l)phenyl]-
Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]-
Identifier:
CAS number
79953-85-8
Identifier:
other: SMILES notation
FC(F)(F)c7cc(NC(=O)c5cc(N=NC(=O)C(Nc1cc(Cl)c(cc1C)NC(C(C)=O)C(=O)N=Nc2cc(ccc2Cl)C(=O)Nc4cc(ccc4Oc3ccc(Cl)cc3)C(F)(F)F)C(C)=O)c(Cl)cc5)c(Oc6ccc(Cl)cc6)cc7
Identifier:
other: InChl
InChI=1/C55H37Cl5F6N8O8/c1-26-20-41(68-49(28(3)76)53(80)74-72-43-22-30(5-17-38(43)59)51(78)70-45-24-32(55(64,65)66)7-19-47(45)82-36-14-10-34(57)11-15-36)39(60)25-40(26)67-48(27(2)75)52(79)73-71-42-21-29(4-16-37(42)58)50(77)69-44-23-31(54(61,62)63)6-18-46(44)81-35-12-8-33(56)9-13-35/h4-25,48-49,67-68H,1-3H3,(H,69,77)(H,70,78)
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-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide}

CAS information

CAS number:
79953-85-8

Molecular and structural information

Molecular formula:
C55H37Cl5F6N8O8
Molecular weight:
1 229.187
SMILES notation:
Cc1cc(c(cc1NC(=O)C(C(=O)C)/N=N/c2cc(ccc2Cl)C(=O)Nc3cc(ccc3Oc4ccc(cc4)Cl)C(F)(F)F)Cl)NC(=O)C(C(=O)C)/N=N/c5cc(ccc5Cl)C(=O)Nc6cc(ccc6Oc7ccc(cc7)Cl)C(F)(F)F
InChl:
InChI=1S/C55H37Cl5F6N8O8/c1-26-20-41(68-53(80)49(28(3)76)74-72-43-22-30(5-17-38(43)59)51(78)70-45-24-32(55(64,65)66)7-19-47(45)82-36-14-10-34(57)11-15-36)39(60)25-40(26)67-52(79)48(27(2)75)73-71-42-21-29(4-16-37(42)58)50(77)69-44-23-31(54(61,62)63)6-18-46(44)81-35-12-8-33(56)9-13-35/h4-25,48-49H,1-3H3,(H,67,79)(H,68,80)(H,69,77)(H,70,78)/b73-71+,74-72+
Structural formula:
Chemical structure