N-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-1H-isothiochromen-4-imine

Systemtic Name: N-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-1H-isothiochromen-4-imine Openeye Name: N-[2,6-dinitro-4-(trifluoromethyl)phenoxy]isothiochroman-4-imine CAS Name: N-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-1H-2-benzothiopyran-4-imine IUPAC Name: N-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-1H-isothiochromen-4-imine Traditional Name: (Z)-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-isothiochroman-4-ylidene-amine Formula: C16H10F3N3O5S MolecularWeight: 413.32791

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NOC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CS1

Isomeric SMILES

C1C2=CC=CC=C2/C(=N/OC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])/CS1

InChI

InChI=1S/C16H10F3N3O5S/c17-16(18,19)10-5-13(21(23)24)15(14(6-10)22(25)26)27-20-12-8-28-7-9-3-1-2-4-11(9)12/h1-6H,7-8H2/b20-12+