2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]
Basic information
- CAS
1831-69-2- Standard SMILES
O=C1C=CC(=NOS(=O)(=O)c2ccccc2)C=C1- InChIKey
JOSADQDTFOIECX-UHFFFAOYSA-N- Molecular formula
- C12H9NO4S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.02522894
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]
- IUPAC
- [(4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
- English name
- 4-[[(Phenylsulfonyl)oxy]imino]-2,5-cyclohexadien-1-one
- Molecular formula
- C12H9NO4S
- Molecular weight
- 263.27
Names & synonyms
p-Benzoquinone O-(phenylsulfonyl)oxime2,5-Cyclohexadiene-1,4-dione, mono(O-(phenylsulfonyl)oxime)DTXSID40620102,5-Cyclohexadiene-1,4-dione, 1-(O-(phenylsulfonyl)oxime)2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]RefChem:82728DTXCID40358311831-69-24-[[(Phenylsulfonyl)oxy]imino]-2,5-cyclohexadien-1-one[(4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate4-{[(phenylsulfonyl)oxy]imino}-2,5-cyclohexadien-1-oneCCG-8627
Show more names
CBMicro_020939SCHEMBL5163602JOSADQDTFOIECX-UHFFFAOYSA-NAKOS000603504BIM-0020862.P001ST50168555(4-oxocyclohexa-2,5-dienylidene)azamethyl benzenesulfonate4-{[(Benzenesulfonyl)oxy]imino}cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
1831-69-2- PubChem CID
- 74595
- DTXSID
DTXSID4062010- Nikkaji
- J421.595H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- EPA Substance Registry System
- p-Benzoquinone O-(phenylsulfonyl)oxime (1831-69-2)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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