Basic information
- CAS
1184925-87-8- Standard SMILES
Nc1ccc(CNc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(O)c34)n2)cc1- InChIKey
DIYVVBGQFDMAKO-UHFFFAOYSA-N- Molecular formula
- C30H23ClN8O13S4
- Average molar mass
- 867.3 g/mol
- Monoisotopic mass
- 865.9955952
Names & identifiers
- Preferred name
- 2-[2-[8-[[4-[[(4-Aminophenyl)methyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid
- IUPAC
- 5-[[4-[(4-aminophenyl)methylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
DTXSID3010999761184925-87-82-[2-[8-[[4-[[(4-Aminophenyl)methyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid
Database identifiers
- CAS
1184925-87-8- PubChem CID
- 165366342
- DTXSID
DTXSID301099976
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 385 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 11
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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