Registration Dossier
Registration Dossier
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EC number: 612-012-9 | CAS number: 60728-43-0
Reference substances
- IUPAC name:
- 3-[(2E)-2-[1-({4-[(2E)-2-[2-(5-carboxy-2-chlorophenyl)hydrazin-1-ylidene]-3-oxobutanamido]-5-chloro-2-methylphenyl}carbamoyl)-2-oxopropylidene]hydrazin-1-yl]-4-chlorobenzoic acid
Inventory
Synonyms
- Names:
- TK 10112/ZP
- Yellow ACS 3G
- Identifier:
- IUPAC name
- 3,3'-((2-chloro-5-methylbenzene-1,4-diyl)bis(imino(1,3-dioxobutane-1,2-diyl)diazene-2,1-diyl))bis(4-chlorobenzoic acid)
- Identifier:
- other: Molecular formula
- C29H23Cl3N6O8
- Identifier:
- other: SMILES notation
- CC(=O)C(N=Nc1cc(ccc1Cl)C(=O)O)C(=O)Nc2cc(Cl)c(NC(=O)C(N=Nc3cc(ccc3Cl)C(=O)O)C(=O)C)cc2C
- Identifier:
- other: InChl
- InChI=1/C29H23Cl3N6O8/c1-12-8-21(34-27(42)25(14(3)40)38-36-23-10-16(29(45)46)5-7-18(23)31)19(32)11-20(12)33-26(41)24(13(2)39)37-35-22-9-15(28(43)44)4-6-17(22)30/h4-11,24-25H,1-3H3,(H,33,41)(H,34,42)(H,43,44)(H,45,46)
- 3,3'-((2-chloro-5-methylbenzene-1,4-diyl)bis(imino(1,3-dioxobutane-1,2-diyl)diazene-2,1-diyl))bis(4-chlorobenzoic acid)
Molecular and structural information
- Molecular formula:
- C29 H23 Cl3 N6 O8
- Molecular weight:
- 689.896
- SMILES notation:
- Clc3ccc(cc3N\N=C(/C(C)=O)C(=O)Nc2cc(C)c(NC(=O)C(=N\Nc1cc(ccc1Cl)C(=O)O)\C(C)=O)cc2Cl)C(=O)O
- InChl:
- InChI=1/C29H23Cl3N6O8/c1-12-8-21(34-27(42)25(14(3)40)38-36-23-10-16(29(45)46)5-7-18(23)31)19(32)11-20(12)33-26(41)24(13(2)39)37-35-22-9-15(28(43)44)4-6-17(22)30/h4-11,35-36H,1-3H3,(H,33,41)(H,34,42)(H,43,44)(H,45,46)/b37-24+,38-25+
- Structural formula:
Related substances
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