2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-
Basic information
- CAS
107803-27-0- Standard SMILES
O=C1OCC/C1=C\c1cc(O)c(O)c(CSc2ccc([N+](=O)[O-])cc2)c1- InChIKey
IBPQZZQVKYXRLG-KPKJPENVSA-N- Molecular formula
- C18H15NO6S
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.06200837
Names & identifiers
- Preferred name
- 2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-
- IUPAC
- (3E)-3-[[3,4-dihydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]methylidene]oxolan-2-one
- English name
- 2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)meth yl)phenyl)methylene)-
- Molecular weight
- 0
Names & synonyms
107803-27-02(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-RefChem:1058733Dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-2(3H)-furanone(3E)-3-[[3,4-dihydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]methylidene]oxolan-2-one2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)meth yl)phenyl)methylene)-
Database identifiers
- CAS
107803-27-0- PubChem CID
- 6447950
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
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Related reactions
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Compound notes
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