C.I. Acid Red 114
disodium;7-hydroxy-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
| Molecular Formula | C37H28N4Na2O10S3 |
|---|---|
| Molecular Weight | 830.8 g/mol |
| Topological Polar Surface Area | 253.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 830.0763 |
| Heavy Atoms | 56 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 6459-94-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)C.[Na+].[Na+] |
| InChIKey | HNBQFKZSMFFZQY-UHFFFAOYSA-L |
📖 Product Overview
C.I. Acid Red 114 (CAS: 6459-94-5) is a chemical compound with molecular formula C37H28N4Na2O10S3 and molecular weight 830.8 g/mol. Its IUPAC systematic name is disodium;7-hydroxy-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate.
HNBQFKZSMFFZQY-UHFFFAOYSA-L.
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)C.[Na+].[Na+].
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