2-[4-[(E)-2-[4-(2,4-dioxopentan-3-yldiazenyl)-2-sulfophenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid
Basic information
- CAS
24681-18-3- Standard SMILES
CC(=O)C(N=Nc1ccc(/C=C/c2ccc(-n3nc4cc(S(=O)(=O)O)c5ccccc5c4n3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)C(C)=O- InChIKey
RLAAWRVSLGRFJS-IINWTGMXSA-N- Molecular formula
- C29H23N5O11S3
- Average molar mass
- 713.7 g/mol
- Monoisotopic mass
- 713.05562009
Names & identifiers
- Preferred name
- 2-[4-[(E)-2-[4-(2,4-dioxopentan-3-yldiazenyl)-2-sulfophenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid
- IUPAC
- 2-[4-[(E)-2-[4-(2,4-dioxopentan-3-yldiazenyl)-2-sulfophenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid
Names & synonyms
24681-18-3DTXSID9067013NS000277152-[4-(2-{4-[(2,4-Dioxopentan-3-yl)diazenyl]-2-sulfophenyl}ethen-1-yl)-3-sulfophenyl]-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonic acid
Database identifiers
- CAS
24681-18-3- PubChem CID
- 21116699
- EC Number
- 246-400-0
- Nikkaji
- J286.370G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,590
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[2-(1-acetyl-2-oxopropyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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