Basic information
- CAS
28743-44-4- Standard SMILES
Nc1ccc2c(O)c(N=Nc3ccc4c(O)c(N=Nc5ccccc5)c(S(=O)(=O)O)cc4c3)c(S(=O)(=O)O)cc2c1- InChIKey
IEKTULOBNBFOMO-UHFFFAOYSA-N- Molecular formula
- C26H19N5O8S2
- Average molar mass
- 593.6 g/mol
- Monoisotopic mass
- 593.06750493
Names & identifiers
- Preferred name
- 7-Amino-4-hydroxy-3-{[5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl]diazenyl}naphthalene-2-sulfonic acid
- IUPAC
- 7-amino-4-hydroxy-3-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
DTXSID4088036328743-44-47-Amino-4-hydroxy-3-{[5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl]diazenyl}naphthalene-2-sulfonic acid
Database identifiers
- CAS
28743-44-4- PubChem CID
- 80370
- DTXSID
DTXSID40880363
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…