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(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate

(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate

Systemtic Name:(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate
Openeye Name:(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate
CAS Name:thiocyanic acid (7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) ester
IUPAC Name:(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) thiocyanate
Traditional Name:thiocyanic acid (7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl) ester
Formula: C9H6N2O4S
MolecularWeight: 238.21994
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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)SC#N)[N+](=O)[O-]


Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)SC#N)[N+](=O)[O-]


InChI

InChI=1S/C9H6N2O4S/c10-5-16-9-4-8-7(14-1-2-15-8)3-6(9)11(12)13/h3-4H,1-2H2


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