Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

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

No inventory information available

Reference substance information

IUPAC name:
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(E)-2-{1-[(5-chloro-4-{2-[(E)-2-{2-chloro-5-[(3-chloro-2-methylphenyl)carbamoyl]phenyl}diazen-1-yl]-3-oxobutanamido}-2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]benzamide
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-(3-chloro-2-methylphenyl)-
Benzamide, 3,3'-[(2-chloro-5-methyl- 1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl )azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl )-
Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-
Identifier:
CAS number
5580-57-4
Identifier:
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]
Identifier:
IUPAC name
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(E)-2-{1-[(5-chloro-4-{2-[(E)-2-{2-chloro-5-[(3-chloro-2-methylphenyl)carbamoyl]phenyl}diazen-1-yl]-3-oxobutanamido}-2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]benzamide
Identifier:
other: SMILES notation
Clc1c(C)c(ccc1)NC(=O)c1cc(c(Cl)cc1)N=NC(C(=O)C)C(=O)Nc1c(Cl)cc(NC(=O)C(C(=O)C)N=Nc2c(Cl)ccc(c2)C(=O)Nc2c(C)c(ccc2)Cl)c(c1)C
Identifier:
other: SMILES notation
Clc4ccc(cc4N=NC(=O)C(Nc3cc(C)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cccc(Cl)c2C)cc3Cl)C(C)=O)C(=O)Nc5cccc(Cl)c5C
Identifier:
other: InChl
InChI=1/C43H35Cl5N8O6/c1-20-16-35(50-39(24(5)58)43(62)56-54-37-18-26(13-15-30(37)47)41(60)52-33-11-7-9-28(45)22(33)3)31(48)19-34(20)49-38(23(4)57)42(61)55-53-36-17-25(12-14-29(36)46)40(59)51-32-10-6-8-27(44)21(32)2/h6-19,38-39,49-50H,1-5H3,(H,51,59)(H,52,60)
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]

CAS information

CAS number:
5580-57-4

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