1,3,7,8-tetrakis(bromanyl)-2-(trifluoromethyl)phenoxathiine

Systemtic Name: 1,3,7,8-tetrakis(bromanyl)-2-(trifluoromethyl)phenoxathiine Openeye Name: 1,3,7,8-tetrabromo-2-(trifluoromethyl)phenoxathiine CAS Name: 1,3,7,8-tetrabromo-2-(trifluoromethyl)phenoxathiine IUPAC Name: 1,3,7,8-tetrabromo-2-(trifluoromethyl)phenoxathiine Traditional Name: 1,3,7,8-tetrabromo-2-(trifluoromethyl)phenoxathiine Formula: C13H3Br4F3OS MolecularWeight: 583.83853

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Br)Br)SC3=C(C(=C(C=C3O2)Br)C(F)(F)F)Br

Isomeric SMILES

C1=C2C(=CC(=C1Br)Br)SC3=C(C(=C(C=C3O2)Br)C(F)(F)F)Br

InChI

InChI=1S/C13H3Br4F3OS/c14-4-1-7-9(3-5(4)15)22-12-8(21-7)2-6(16)10(11(12)17)13(18,19)20/h1-3H