2-[(E)-(3-Oxo-1,3-diphenylpropylidene)amino]ethane-1-sulfonic acid
Basic information
- CAS
79221-54-8- Standard SMILES
O=C(CC(=NCCS(=O)(=O)O)c1ccccc1)c1ccccc1- InChIKey
QVAHIBHEDZCRAU-UHFFFAOYSA-N- Molecular formula
- C17H17NO4S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.0878292
Names & identifiers
- Preferred name
- 2-[(E)-(3-Oxo-1,3-diphenylpropylidene)amino]ethane-1-sulfonic acid
- IUPAC
- 2-[(3-oxo-1,3-diphenylpropylidene)amino]ethanesulfonic acid
Names & synonyms
79221-54-8DTXSID008225822-[(E)-(3-Oxo-1,3-diphenylpropylidene)amino]ethane-1-sulfonic acid
Database identifiers
- CAS
79221-54-8- PubChem CID
- 71401546
- DTXSID
DTXSID00822582
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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