(1E,3E)-2-Methyl-4-(2-(4-nitrobenzoyl)hydrazinyl)penta-1,3-diene-1-sulfonic acid
Basic information
- CAS
106710-57-0- Standard SMILES
CC(=C\S(=O)(=O)O)/C=C(\C)NNC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
GYOVNBVJAXZZQH-DGLUDJRXSA-N- Molecular formula
- C13H15N3O6S
- Average molar mass
- 341.34 g/mol
- Monoisotopic mass
- 341.06815638
Names & identifiers
- Preferred name
- (1E,3E)-2-Methyl-4-(2-(4-nitrobenzoyl)hydrazinyl)penta-1,3-diene-1-sulfonic acid
- IUPAC
- (1E,3E)-2-methyl-4-[2-(4-nitrobenzoyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
Names & synonyms
(1E,3E)-2-Methyl-4-(2-(4-nitrobenzoyl)hydrazinyl)penta-1,3-diene-1-sulfonic acid106710-57-0
Database identifiers
- CAS
106710-57-0- PubChem CID
- 6442946
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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