Basic information
- CAS
3682-47-1- Standard SMILES
O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)c2c(O)c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(S(=O)(=O)O)cc2c1- InChIKey
WQWKYALNLSYERE-UHFFFAOYSA-N- Molecular formula
- C30H20N4O11S3
- Average molar mass
- 708.7 g/mol
- Monoisotopic mass
- 708.02907099
Names & identifiers
- Preferred name
- Trisodium 4-hydroxy-5-((2-hydroxynaphthyl)azo)-3-((4-sulphonatonaphthyl)azo)naphthalene-2,7-disulphonate
- IUPAC
- 4-hydroxy-5-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
NSC 8674EINECS 222-966-4C.I. 26990Trisodium 4-hydroxy-5-((2-hydroxynaphthyl)azo)-3-((4-sulphonatonaphthyl)azo)naphthalene-2,7-disulphonateSCHEMBL11763437SCHEMBL14418371SCHEMBL31525848WQWKYALNLSYERE-UHFFFAOYSA-NQ54369891-hydroxy-8-(2-hydroxy-1-naphthylazo)-2-(4-sulfo-1-naphthylazo)-naphthalene-3,6-disulfonic acid
Database identifiers
- CAS
3682-47-1- PubChem CID
- 407699
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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