Basic information
- CAS
77365-27-6- Standard SMILES
CN(c1ccc2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1)c1nc(Cl)nc(Nc2cccc(S(=O)(=O)O)c2)n1- InChIKey
RGVYJSPNCNNDFJ-UHFFFAOYSA-N- Molecular formula
- C26H20ClN7O10S3
- Average molar mass
- 722.1 g/mol
- Monoisotopic mass
- 721.0122311
Names & identifiers
- Preferred name
- 7-[[4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2-naphthalenesulfonic acid
- IUPAC
- 7-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]-methylamino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
DTXSID3013850947-[[4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2-naphthalenesulfonic acid77365-27-6
Database identifiers
- CAS
77365-27-6- PubChem CID
- 166121
- DTXSID
DTXSID301385094
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 287 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…