1-isothiocyanato-4-(4-nitrophenyl)sulfonyl-benzene

Systemtic Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfonyl-benzene Openeye Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfonyl-benzene CAS Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene IUPAC Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene Traditional Name: 1-isothiocyanato-4-nosyl-benzene Formula: C13H8N2O4S2 MolecularWeight: 320.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=C=S)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O4S2/c16-15(17)11-3-7-13(8-4-11)21(18,19)12-5-1-10(2-6-12)14-9-20/h1-8H