4-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylphenol

Systemtic Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylphenol Openeye Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylphenol CAS Name: 4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]phenol IUPAC Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylphenol Traditional Name: 4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]phenol Formula: C13H7F3N2O5S MolecularWeight: 360.26529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1O)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H7F3N2O5S/c14-13(15,16)7-5-10(17(20)21)12(11(6-7)18(22)23)24-9-3-1-8(19)2-4-9/h1-6,19H