1-methyl-2,3,4-tris(trifluoromethyl)thianthrene

Systemtic Name: 1-methyl-2,3,4-tris(trifluoromethyl)thianthrene Openeye Name: 1-methyl-2,3,4-tris(trifluoromethyl)thianthrene CAS Name: 1-methyl-2,3,4-tris(trifluoromethyl)thianthrene IUPAC Name: 1-methyl-2,3,4-tris(trifluoromethyl)thianthrene Traditional Name: 1-methyl-2,3,4-tris(trifluoromethyl)thianthrene Formula: C16H7F9S2 MolecularWeight: 434.342409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)SC3=CC=CC=C3S2

Isomeric SMILES

CC1=C2C(=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)SC3=CC=CC=C3S2

InChI

InChI=1S/C16H7F9S2/c1-6-9(14(17,18)19)10(15(20,21)22)11(16(23,24)25)13-12(6)26-7-4-2-3-5-8(7)27-13/h2-5H,1H3