Basic information
- CAS
6956-39-4- Standard SMILES
Cc1ccc(S(=O)(=O)ON=C2CC(c3ccccc3)Oc3ccccc32)cc1- InChIKey
UKUZCBKMKVMPIF-UHFFFAOYSA-N- Molecular formula
- C22H19NO4S
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.10347909
Names & identifiers
- Preferred name
- 2,3-Dihydro-4-[(4-methylphenyl)sulfonyloximino]-2-phenyl-4H-1-benzopyran
- IUPAC
- [(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] 4-methylbenzenesulfonate
Names & synonyms
6956-39-4NCIOpen2_008031SCHEMBL11168518DTXSID50989593UKUZCBKMKVMPIF-UHFFFAOYSA-N2,3-Dihydro-4-[(4-methylphenyl)sulfonyloximino]-2-phenyl-4H-1-benzopyranN-[(4-Methylbenzene-1-sulfonyl)oxy]-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-imine
Database identifiers
- CAS
6956-39-4- PubChem CID
- 248315
- DTXSID
DTXSID50989593
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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