Basic information
- CAS
197438-48-5- Standard SMILES
CS(=O)(=O)c1ccc(/C(=C2\CCOC2=O)c2cccc(Cl)c2)cc1- InChIKey
SWQSXNPJMCRJFV-MSUUIHNZSA-N- Molecular formula
- C18H15ClO4S
- Average molar mass
- 362.8 g/mol
- Monoisotopic mass
- 362.0379578
Names & identifiers
- Preferred name
- 3-((3-Chlorophenyl)(4-(methylsulfonyl)phenyl)methylene)dihydro-2(3H)-furanone, (3Z)-
- IUPAC
- (3Z)-3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one
Names & synonyms
UNII-920350682Z3-((3-Chlorophenyl)(4-(methylsulfonyl)phenyl)methylene)dihydro-2(3H)-furanone, (3Z)-920350682Z197438-48-52(3H)-Furanone, 3-((3-chlorophenyl)(4-(methylsulfonyl)pheny)methylene)dihydro-, (3Z)-SCHEMBL2126889SWQSXNPJMCRJFV-MSUUIHNZSA-NQ27271444(3Z)-3-((3-chlorophenyl)(4-(methylsulfonyl)phenyl)methylene)dihydro-2(3H)-furanone(Z)-3-[1-(3-Chlorophenyl)-1-(4-methanesulfonylphenyl)methylidene]dihydrofuran-2-one(z)-3-[1-(3-chlorophenyl)-1-(4-methanesulphonylphenyl)-methylidene]dihydrofuran-2-one
Database identifiers
- CAS
197438-48-5- PubChem CID
- 9799088
- UNII
- 920350682Z
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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