Acetaldehyde;2-diazonio-5-(3-methylphenoxy)sulfonylnaphthalen-1-olate;4-hydroxybenzaldehyde
Basic information
- CAS
181229-58-3- Standard SMILES
CC=O.Cc1cccc(OS(=O)(=O)c2cccc3c([O-])c([N+]#N)ccc23)c1.O=Cc1ccc(O)cc1- InChIKey
ZVVZRBCREXJTGH-UHFFFAOYSA-N- Molecular formula
- C26H22N2O7S
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.11477222
Names & identifiers
- Preferred name
- Acetaldehyde;2-diazonio-5-(3-methylphenoxy)sulfonylnaphthalen-1-olate;4-hydroxybenzaldehyde
- IUPAC
- acetaldehyde;2-diazonio-5-(3-methylphenoxy)sulfonylnaphthalen-1-olate;4-hydroxybenzaldehyde
- English name
- 4-Hydroxybenzaldehyde polymer with acetaldehyde and 3-methylphenol, 6-diazo-5,6-dihydro-5-oxo-1- naphthalenesulfonate
- Molecular formula
- C26H24N2O8S
- Molecular weight
- 524.54
Names & synonyms
4-Hydroxybenzaldehyde polymer with acetaldehyde and 3-methylphenol, 6-diazo-5,6-dihydro-5-oxo-1- naphthalenesulfonate
Database identifiers
- CAS
181229-58-3- PubChem CID
- 44147249
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-hydroxy-, polymer with acetaldehyde and 3-methylphenol, 6-diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonate (181229-58-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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