8-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanylquinoline

Systemtic Name: 8-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanylquinoline Openeye Name: 8-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanylquinoline CAS Name: 8-[(4-methylsulfonyl-2,6-dinitrophenyl)thio]quinoline IUPAC Name: 8-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanylquinoline Traditional Name: 8-[(4-mesyl-2,6-dinitro-phenyl)thio]quinoline Formula: C16H11N3O6S2 MolecularWeight: 405.40504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6S2/c1-27(24,25)11-8-12(18(20)21)16(13(9-11)19(22)23)26-14-6-2-4-10-5-3-7-17-15(10)14/h2-9H,1H3