3-(Benzenesulfonylmethyl)-4-phenylcyclobut-3-ene-1,2-dione
Basic information
- CAS
81758-60-3- Standard SMILES
O=c1c(CS(=O)(=O)c2ccccc2)c(-c2ccccc2)c1=O- InChIKey
WNZINHPGPKVTJR-UHFFFAOYSA-N- Molecular formula
- C17H12O4S
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.04563003
Names & identifiers
- Preferred name
- 3-(Benzenesulfonylmethyl)-4-phenylcyclobut-3-ene-1,2-dione
- IUPAC
- 3-(benzenesulfonylmethyl)-4-phenylcyclobut-3-ene-1,2-dione
Names & synonyms
NSC38229581758-60-3DTXSID40321842NSC-3822953-[(Benzenesulfonyl)methyl]-4-phenylcyclobut-3-ene-1,2-dione
Database identifiers
- CAS
81758-60-3- PubChem CID
- 343192
- DTXSID
DTXSID40321842
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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