7-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid
Basic information
- CAS
14408-23-2- Standard SMILES
COc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(NCc4nc(Cl)nc(Nc5cccc(S(=O)(=O)O)c5)n4)ccc3c2O)c(S(=O)(=O)O)c1- InChIKey
IRLDXNBDTKDAGY-UHFFFAOYSA-N- Molecular formula
- C27H22ClN7O11S3
- Average molar mass
- 752.2 g/mol
- Monoisotopic mass
- 751.0227958
Names & identifiers
- Preferred name
- 7-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid
- IUPAC
- 7-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
14408-23-2EINECS 238-384-97-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acidIRLDXNBDTKDAGY-UHFFFAOYSA-N7-[[4-Chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Database identifiers
- CAS
14408-23-2- PubChem CID
- 84420
- EC Number
- 238-384-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 305 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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