2-Naphthalenesulfonic acid, 4-hydroxy-3-[(1E)-2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-(methylamino)-8-[(1E)-2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
Basic information
- CAS
1182723-59-6- Standard SMILES
CNc1ccc2c(O)c(N=Nc3cc(C)c(S(=O)(=O)CCOS(=O)(=O)[O-])cc3OC)c(S(=O)(=O)[O-])cc2c1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
SLVQMMKHKNGQAI-UHFFFAOYSA-J- Molecular formula
- C29H27N5Na4O20S6
- Average molar mass
- 1,049.9 g/mol
- Monoisotopic mass
- 1,048.9164424
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 4-hydroxy-3-[(1E)-2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-(methylamino)-8-[(1E)-2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-7-(methylamino)-8-[[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate
Names & synonyms
DTXSID8013611761182723-59-62-Naphthalenesulfonic acid, 4-hydroxy-3-[(1E)-2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-(methylamino)-8-[(1E)-2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
Database identifiers
- CAS
1182723-59-6- PubChem CID
- 177842017
- DTXSID
DTXSID801361176
Properties
Computed structural properties
- Topological polar surface area
- 457 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 14
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 2,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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