2,7-Naphthalenedisulfonic acid, 3-amino-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-
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Basic information
- CAS
56317-51-2- Standard SMILES
Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1- InChIKey
JWBAKTMKKFYQDB-UHFFFAOYSA-N- Molecular formula
- C18H17N3O12S4
- Average molar mass
- 595.6 g/mol
- Monoisotopic mass
- 594.96950768
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 3-amino-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-
- IUPAC
- 3-amino-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
- English name
- 3-amino-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid
- Molecular formula
- C18H17N3O12S4
- Molecular weight
- 595.6
Names & synonyms
EINECS 260-108-02,7-Naphthalenedisulfonic acid, 3-amino-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-2,7-Naphthalenedisulfonic acid, 3-amino-4-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-2,7-Naphthalenedisulfonic acid, 3-amino-4-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-2,7-Naphthalenedisulfonic acid, 3-amino-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-RefChem:44605156317-51-23-Amino-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid3-amino-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acidRU4SZ76GAJDTXSID5069093SCHEMBL13880640
Show more names
3-Amino-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-2,7-naphthalenedisulfonic acid
JWBAKTMKKFYQDB-UHFFFAOYSA-NDB-228538NS000335003-Amino-4-({4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2,7-disulfonic acid3-Amino-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 291 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- FDA UNII
- 4 SZ76GAJ · RU4SZ76GAJ
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 3-amino-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]- (56317-51-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3-amino-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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