Basic information
- CAS
25317-51-5- Standard SMILES
CC(=O)Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(NC(C)=O)c3c2O)cc1- InChIKey
ZWESMPYRPRGBPS-UHFFFAOYSA-N- Molecular formula
- C20H18N4O9S2
- Average molar mass
- 522.5 g/mol
- Monoisotopic mass
- 522.05152051
Names & identifiers
- Preferred name
- Acid Violet 7 free acid
- IUPAC
- 5-acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
Acid Violet 7 free acidFood Red 11 free acidZ2MH954O3DUNII-Z2MH954O3D25317-51-52,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-((4-(acetylamino)phenyl)azo)-4-hydroxy-2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-(2-(4-(acetylamino)phenyl)diazenyl)-4-hydroxy-C.I. Food Red 11 parentSCHEMBL3266745DTXSID5045049SCHEMBL18135178SCHEMBL29678420
Show more names
Q272949142,7-Naphthalenedisulfonic acid, 4-acetylamino-6-(4-acetylaminophenylazo)-5-hydroxy-5-Acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Database identifiers
- CAS
25317-51-5- PubChem CID
- 61350
- DTXSID
DTXSID5045049- UNII
- Z2MH954O3D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,030
Experimental & physicochemical properties
Collision Cross Section231.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8044672]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…