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1-isothiocyanato-2,3-dinitro-benzene

1-isothiocyanato-2,3-dinitro-benzene

Systemtic Name:1-isothiocyanato-2,3-dinitro-benzene
Openeye Name:1-isothiocyanato-2,3-dinitro-benzene
CAS Name:1-isothiocyanato-2,3-dinitrobenzene
IUPAC Name:1-isothiocyanato-2,3-dinitrobenzene
Traditional Name:1-isothiocyanato-2,3-dinitro-benzene
Formula: C7H3N3O4S
MolecularWeight: 225.18142
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N=C=S


Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N=C=S


InChI

InChI=1S/C7H3N3O4S/c11-9(12)6-3-1-2-5(8-4-15)7(6)10(13)14/h1-3H


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