8-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[[4-chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[[[4-chloro-3-(trifluoromethyl)phenyl]thio]methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[[4-chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[[[4-chloro-3-(trifluoromethyl)phenyl]thio]methyl]-6-nitro-4H-1,3-benzodioxin Formula: C16H11ClF3NO4S MolecularWeight: 405.77605

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClF3NO4S/c17-14-2-1-12(5-13(14)16(18,19)20)26-7-10-4-11(21(22)23)3-9-6-24-8-25-15(9)10/h1-5H,6-8H2