UNII-3O4K69B049
5-benzamido-3-[[2-(2-cyclohexylphenoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: 5-(Benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid|2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxy-|2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-|(3Z)-5-benzamido-3-[[2-(2-cyclohexylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
| Molecular Formula | C35H31N3O9S2 |
|---|---|
| Molecular Weight | 701.15015 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 701.15015 |
| Monoisotopic Mass | 701.15015 |
| Heavy Atoms | 49 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 178261-58-0 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=CC=C2OC3=CC=CC=C3N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)NC(=O)C6=CC=CC=C6)O |
| InChIKey | OEGNZGHSJLQMPP-UHFFFAOYSA-N |
Product Overview
UNII-3O4K69B049 (CAS 178261-58-0), with molecular formula C35H31N3O9S2 and molecular weight 701.15015 g/mol. IUPAC: 5-benzamido-3-[[2-(2-cyclohexylphenoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid.
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