[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-methyl-2-nitro-phenyl]sulfanylmethylphosphonic acid

Systemtic Name: [5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-methyl-2-nitro-phenyl]sulfanylmethylphosphonic acid Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-methyl-2-nitro-phenyl]sulfanylmethylphosphonic acid CAS Name: [[5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-methyl-2-nitrophenyl]thio]methylphosphonic acid IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-methyl-2-nitrophenyl]sulfanylmethylphosphonic acid Traditional Name: [[5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-methyl-2-nitro-phenyl]thio]methylphosphonic acid Formula: C15H12ClF3NO6PS MolecularWeight: 457.745851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(F)(F)F)Cl)SCP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(F)(F)F)Cl)SCP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClF3NO6PS/c1-8-4-11(20(21)22)14(28-7-27(23,24)25)6-13(8)26-12-3-2-9(5-10(12)16)15(17,18)19/h2-6H,7H2,1H3,(H2,23,24,25)