Basic information
- CAS
156805-54-8- Standard SMILES
C=CS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(S(=O)(=O)C=C)cc4)c(O)c3c2N)cc1- InChIKey
WYGMBYLSKDVOKF-UHFFFAOYSA-N- Molecular formula
- C26H21N5O11S4
- Average molar mass
- 707.7 g/mol
- Monoisotopic mass
- 707.0120412
Names & identifiers
- Preferred name
- 4-Amino-3,6-bis[2-[4-(ethenylsulfonyl)phenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 4-amino-3,6-bis[(4-ethenylsulfonylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
SCHEMBL15671895WYGMBYLSKDVOKF-UHFFFAOYSA-NDTXSID201023459156805-54-84-Amino-3,6-bis[2-[4-(ethenylsulfonyl)phenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
156805-54-8- PubChem CID
- 136601774
- DTXSID
DTXSID201023459- Nikkaji
- J1.237.697I、J2.059.328H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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