3-[(2-chloranyl-4-fluoranyl-5-nitro-phenoxy)methyl]thiane

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-5-nitro-phenoxy)methyl]thiane Openeye Name: 3-[(2-chloro-4-fluoro-5-nitro-phenoxy)methyl]tetrahydrothiopyran CAS Name: 3-[(2-chloro-4-fluoro-5-nitrophenoxy)methyl]thiane IUPAC Name: 3-[(2-chloro-4-fluoro-5-nitrophenoxy)methyl]thiane Traditional Name: 3-[(2-chloro-4-fluoro-5-nitro-phenoxy)methyl]tetrahydrothiopyran Formula: C12H13ClFNO3S MolecularWeight: 305.752923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CSC1)COC2=C(C=C(C(=C2)[N+](=O)[O-])F)Cl

Isomeric SMILES

C1CC(CSC1)COC2=C(C=C(C(=C2)[N+](=O)[O-])F)Cl

InChI

InChI=1S/C12H13ClFNO3S/c13-9-4-10(14)11(15(16)17)5-12(9)18-6-8-2-1-3-19-7-8/h4-5,8H,1-3,6-7H2