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3-fluoranylbutyl (5-methylsulfanyl-2,3-dinitro-phenyl) carbonate

3-fluoranylbutyl (5-methylsulfanyl-2,3-dinitro-phenyl) carbonate

Systemtic Name:3-fluoranylbutyl (5-methylsulfanyl-2,3-dinitro-phenyl) carbonate
Openeye Name:3-fluorobutyl (5-methylsulfanyl-2,3-dinitro-phenyl) carbonate
CAS Name:carbonic acid 3-fluorobutyl [5-(methylthio)-2,3-dinitrophenyl] ester
IUPAC Name:3-fluorobutyl (5-methylsulfanyl-2,3-dinitrophenyl) carbonate
Traditional Name:carbonic acid 3-fluorobutyl [5-(methylthio)-2,3-dinitro-phenyl] ester
Formula: C12H13FN2O7S
MolecularWeight: 348.304223
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)OC1=C(C(=CC(=C1)SC)[N+](=O)[O-])[N+](=O)[O-])F


Isomeric SMILES

CC(CCOC(=O)OC1=C(C(=CC(=C1)SC)[N+](=O)[O-])[N+](=O)[O-])F


InChI

InChI=1S/C12H13FN2O7S/c1-7(13)3-4-21-12(16)22-10-6-8(23-2)5-9(14(17)18)11(10)15(19)20/h5-7H,3-4H2,1-2H3


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