4-chloranyl-7-nitro-5-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 4-chloranyl-7-nitro-5-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 4-chloro-7-nitro-5-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 4-chloro-7-nitro-5-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 4-chloro-7-nitro-5-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 4-chloro-7-nitro-5-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C8HClF3NO3S2 MolecularWeight: 315.67665

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C2C(=C1[N+](=O)[O-])SC(=O)S2)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C(=C2C(=C1[N+](=O)[O-])SC(=O)S2)Cl)C(F)(F)F

InChI

InChI=1S/C8HClF3NO3S2/c9-4-2(8(10,11)12)1-3(13(15)16)5-6(4)18-7(14)17-5/h1H