2-Methyl-4-oxo-4H-pyran-3-yl 2,4-dinitrobenzenesulfonate

HCID 86660353
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1occc(=O)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
HMYVVMCTWUQBJP-UHFFFAOYSA-N
Molecular formula
C12H8N2O9S
Average molar mass
356.27 g/mol

Names & identifiers

Preferred name
2-Methyl-4-oxo-4H-pyran-3-yl 2,4-dinitrobenzenesulfonate
IUPAC
(2-methyl-4-oxopyran-3-yl) 2,4-dinitrobenzenesulfonate

Names & synonyms

2-Methyl-4-oxo-4H-pyran-3-yl 2,4-dinitrobenzenesulfonateSCHEMBL9985685HMYVVMCTWUQBJP-UHFFFAOYSA-N

Database identifiers

PubChem CID
86660353

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
170 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
New reaction record

Linked notes

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