Basic information
- CAS
53460-02-9- Standard SMILES
CCCCCCCCCc1ccc(Oc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccccc5)c(O)c34)n2)cc1- InChIKey
BUMVIGLKISJXLT-UHFFFAOYSA-N- Molecular formula
- C34H35ClN6O8S2
- Average molar mass
- 755.3 g/mol
- Monoisotopic mass
- 754.1646321
Names & identifiers
- Preferred name
- 5-[[4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acid
- IUPAC
- 5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
- English name
- 5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid
- Molecular formula
- C34H35ClN6O8S2
- Molecular weight
- 755.26
Names & synonyms
53460-02-95-[[4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acid5-((4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acidRefChem:299126EINECS 258-567-75-((4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acidBUMVIGLKISJXLT-UHFFFAOYSA-NDTXSID501105406NS000590655-[[4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulfonic acid5-[[4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(phenylazo)-2,7-naphthalenedisulfonic acid5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid
Show more names
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(2-phenyldiazenyl)-
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 16
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,310
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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