2-isothiocyanato-1,3,5-trinitro-benzene

Systemtic Name: 2-isothiocyanato-1,3,5-trinitro-benzene Openeye Name: 2-isothiocyanato-1,3,5-trinitro-benzene CAS Name: 2-isothiocyanato-1,3,5-trinitrobenzene IUPAC Name: 2-isothiocyanato-1,3,5-trinitrobenzene Traditional Name: 2-isothiocyanato-1,3,5-trinitro-benzene Formula: C7H2N4O6S MolecularWeight: 270.17898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H2N4O6S/c12-9(13)4-1-5(10(14)15)7(8-3-18)6(2-4)11(16)17/h1-2H