Direct Red 17 free acid
Basic information
- CAS
25188-32-3- Standard SMILES
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4c(O)ccc5cccc(S(=O)(=O)O)c45)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12- InChIKey
XHUNMFDADWPPFX-UHFFFAOYSA-N- Molecular formula
- C32H23N5O7S2
- Average molar mass
- 653.7 g/mol
- Monoisotopic mass
- 653.10389008
Names & identifiers
- Preferred name
- Direct Red 17 free acid
- IUPAC
- 4-amino-3-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
Direct Red 17 free acidC.I. Direct Red 17HCN5X65698UNII-HCN5X6569825188-32-31-Naphthalenesulfonic acid, 4-amino-3-(2-(4'-(2-(2-hydroxy-8-sulfo-1-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-Amino-3-(2-(4'-(2-(2-hydroxy-8-sulfo-1-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-1-naphthalenesulfonic acidDTXSID908597664-Amino-3-({4'-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl)naphthalene-1-sulfonic acid
Database identifiers
- CAS
25188-32-3- PubChem CID
- 17707
- DTXSID
DTXSID90859766- UNII
- HCN5X65698
- EC Number
- 607-619-0
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,300
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