2,2'-[(Z)-1-(Benzenesulfonyl)ethene-1,2-diyl]bis(5-nitrofuran)

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Basic information

CAS: 53288-63-4
Standard SMILES: O=[N+]([O-])c1ccc(/C=C(/c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1
InChIKey: STDKPKUCUGOEAT-UVTDQMKNSA-N
Molecular formula: C16H10N2O8S
Average molar mass: 390.3 g/mol
Monoisotopic mass: 390.01578646

Names & identifiers

Preferred name: 2,2'-[(Z)-1-(Benzenesulfonyl)ethene-1,2-diyl]bis(5-nitrofuran)
IUPAC: 2-[(Z)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran

Names & synonyms

53288-63-4NSC291049CHEMBL1970868DTXSID30421885NSC-2910492,2'-[(Z)-1-(Benzenesulfonyl)ethene-1,2-diyl]bis(5-nitrofuran)2-[(Z)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran

Database identifiers

CAS: 53288-63-4
PubChem CID: 6072945
DTXSID: DTXSID30421885
ChEMBL: CHEMBL1970868

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 160 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 699

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Compound notes

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