Direct Red 81 free acid
7-benzamido-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
| Molecular Formula | C29H21N5O8S2 |
|---|---|
| Molecular Weight | 631.6 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 224.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 631.0831 |
| Heavy Atoms | 44 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 25188-42-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | IGXZMQCLUNTWCC-UHFFFAOYSA-N |
📖 Product Overview
Direct Red 81 free acid (CAS: 25188-42-5) is a chemical compound with molecular formula C29H21N5O8S2 and molecular weight 631.6 g/mol. Its IUPAC systematic name is 7-benzamido-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid.
IGXZMQCLUNTWCC-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O.
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