Registration Dossier
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EC number: 235-427-3 | CAS number: 12225-18-2
Reference substances
- IUPAC name:
- N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide
Inventory
- EC number:
- 235-427-3
- EC name:
- N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide
- CAS number:
- 12225-18-2
- CAS number:
- 12225-18-2
Synonyms
- Names:
- Butanamide, N-(4-chloro-2,5-dimethoxyphenyl) -2-[[2,5-dimethoxy-4-[(phenylamino)sulfonyl ]phenyl]azo]-3-oxo-
- Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2- 2,5-dimethoxy-4- (phenylamino)sulfonyl phenyl azo -
- Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]azo]-3-oxo-
- Identifier:
- IUPAC name
- N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide
- Identifier:
- IUPAC name
- N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide
- Identifier:
- other: InChl
- 1S/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33)/b30-29+
- Identifier:
- other: Molecular formula
- C26H27ClN4O8S
- Identifier:
- other: SMILES notation
- COc3cc(NC(=O)C(N=Nc1cc(OC)c(cc1OC)S(=O)(=O)Nc2ccccc2)C(C)=O)c(cc3Cl)OC
- Identifier:
- other: SMILES notation
- c1(c(cc(S(Nc2ccccc2)(=O)=O)c(c1)OC)OC) \N=N\[C@@H](C(Nc1c(cc(Cl)c(c1)OC)OC)=O)C(C)=O
Molecular and structural information
- Molecular formula:
- C26H27ClN4O8S
- Molecular weight:
- 591.033
- SMILES notation:
- COc3cc(NC(=O)C(N=Nc1cc(OC)c(cc1OC)S(=O)(=O)Nc2ccccc2)C(C)=O)c(cc3Cl)OC
- InChl:
- InChI=1/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33)
- Structural formula:
Related substances
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