1,5-dinitro-2-(phenylmethylsulfanyl)-3-(trifluoromethyl)benzene

Systemtic Name: 1,5-dinitro-2-(phenylmethylsulfanyl)-3-(trifluoromethyl)benzene Openeye Name: 2-benzylsulfanyl-1,5-dinitro-3-(trifluoromethyl)benzene CAS Name: 1,5-dinitro-2-(phenylmethylthio)-3-(trifluoromethyl)benzene IUPAC Name: 2-benzylsulfanyl-1,5-dinitro-3-(trifluoromethyl)benzene Traditional Name: 2-(benzylthio)-1,5-dinitro-3-(trifluoromethyl)benzene Formula: C14H9F3N2O4S MolecularWeight: 358.29247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9F3N2O4S/c15-14(16,17)11-6-10(18(20)21)7-12(19(22)23)13(11)24-8-9-4-2-1-3-5-9/h1-7H,8H2