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EC number: 276-057-2 | CAS number: 71832-85-4
Reference substances
- IUPAC name:
- calcium bis[4-({1-[(2-chlorophenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]
Inventory
- EC number:
- 276-057-2
- EC name:
- Calcium bis[4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
- CAS number:
- 71832-85-4
- CAS number:
- 71832-85-4
Synonyms
- Names:
- Benzenesulfonic acid, 4-[[1-[[(2-chlorophenyl)amino] carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
- Benzenesulfonic acid, 4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
- Identifier:
- IUPAC name
- Calcium bis[4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
- Identifier:
- other:
- Benzenesulfonic acid, 4-[[1-[[(2-chlorophenyl)amino] carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
- Identifier:
- other:
- Benzenesulfonic acid, 4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
- Identifier:
- other: InChl
- InChI=1S/2C16H13ClN4O7S.Ca/c2*1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25;/h2*2-8,15H,1H3,(H,18,23)(H,26,27,28);/q;;+2/p-2/b2*20-19+;
- Identifier:
- other: SMILES notation
- [Ca+2].CC(=O)C(\N=N\c1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-])C(=O)Nc2ccccc2Cl.CC(=O)C(\N=N\c3ccc(cc3[N+](=O)[O-])S(=O)(=O)[O-])C(=O)Nc4ccccc4Cl
- Identifier:
- other:
- calcium bis[4-({1-[(2-chlorophenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]
Molecular and structural information
- Molecular formula:
- C16H13ClN4O7S.1/2Ca
- Molecular weight:
- 919.692
- SMILES notation:
- [Ca+2].Clc2ccccc2NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)c(c2)[N+]([O-])=O
- InChl:
- InChI=1/2C16H13ClN4O7S.Ca/c2*1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25;/h2*2-8,15H,1H3,(H,18,23)(H,26,27,28);/q;;+2/p-2
- Structural formula:
Related substances
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