C.I. Direct Brown 101
5-[[4-[4-[[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
| Molecular Formula | C36H24N6O9S |
|---|---|
| Molecular Weight | 716.7 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 252.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 716.13257 |
| Heavy Atoms | 52 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 25180-44-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC(=C(C=C5)O)C(=O)O)S(=O)(=O)O)N=NC6=CC(=C(C=C6)O)C(=O)O |
| InChIKey | AUTINFVSBXCWKB-UHFFFAOYSA-N |
📖 Product Overview
C.I. Direct Brown 101 (CAS: 25180-44-3) is a chemical compound with molecular formula C36H24N6O9S and molecular weight 716.7 g/mol. Its IUPAC systematic name is 5-[[4-[4-[[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
AUTINFVSBXCWKB-UHFFFAOYSA-N.
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC(=C(C=C5)O)C(=O)O)S(=O)(=O)O)N=NC6=CC(=C(C=C6)O)C(=O)O.
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