1-isothiocyanato-4-(nitromethylsulfonyl)benzene

Systemtic Name: 1-isothiocyanato-4-(nitromethylsulfonyl)benzene Openeye Name: 1-isothiocyanato-4-(nitromethylsulfonyl)benzene CAS Name: 1-isothiocyanato-4-(nitromethylsulfonyl)benzene IUPAC Name: 1-isothiocyanato-4-(nitromethylsulfonyl)benzene Traditional Name: 1-isothiocyanato-4-(nitromethylsulfonyl)benzene Formula: C8H6N2O4S2 MolecularWeight: 258.27424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)S(=O)(=O)C[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=C=S)S(=O)(=O)C[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4S2/c11-10(12)6-16(13,14)8-3-1-7(2-4-8)9-5-15/h1-4H,6H2