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(6-nitro-1,3-benzodioxol-5-yl) thiocyanate

(6-nitro-1,3-benzodioxol-5-yl) thiocyanate

Systemtic Name:(6-nitro-1,3-benzodioxol-5-yl) thiocyanate
Openeye Name:(6-nitro-1,3-benzodioxol-5-yl) thiocyanate
CAS Name:thiocyanic acid (6-nitro-1,3-benzodioxol-5-yl) ester
IUPAC Name:(6-nitro-1,3-benzodioxol-5-yl) thiocyanate
Traditional Name:thiocyanic acid (6-nitro-1,3-benzodioxol-5-yl) ester
Formula: C8H4N2O4S
MolecularWeight: 224.19336
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC#N


Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC#N


InChI

InChI=1S/C8H4N2O4S/c9-3-15-8-2-7-6(13-4-14-7)1-5(8)10(11)12/h1-2H,4H2


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