4-methylsulfonyl-2-nitro-1-[3-(trifluoromethyl)phenyl]sulfanyl-benzene

Systemtic Name: 4-methylsulfonyl-2-nitro-1-[3-(trifluoromethyl)phenyl]sulfanyl-benzene Openeye Name: 4-methylsulfonyl-2-nitro-1-[3-(trifluoromethyl)phenyl]sulfanyl-benzene CAS Name: 4-methylsulfonyl-2-nitro-1-[[3-(trifluoromethyl)phenyl]thio]benzene IUPAC Name: 4-methylsulfonyl-2-nitro-1-[3-(trifluoromethyl)phenyl]sulfanylbenzene Traditional Name: 4-mesyl-2-nitro-1-[[3-(trifluoromethyl)phenyl]thio]benzene Formula: C14H10F3NO4S2 MolecularWeight: 377.35871

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3NO4S2/c1-24(21,22)11-5-6-13(12(8-11)18(19)20)23-10-4-2-3-9(7-10)14(15,16)17/h2-8H,1H3