[[3-(4-methanethioylphenyl)-6-nitro-2-(trifluoromethyl)phenyl]amino]methylphosphonic acid

Systemtic Name: [[3-(4-methanethioylphenyl)-6-nitro-2-(trifluoromethyl)phenyl]amino]methylphosphonic acid Openeye Name: [3-(4-methanethioylphenyl)-6-nitro-2-(trifluoromethyl)anilino]methylphosphonic acid CAS Name: [3-(4-methanethioylphenyl)-6-nitro-2-(trifluoromethyl)anilino]methylphosphonic acid IUPAC Name: [3-(4-methanethioylphenyl)-6-nitro-2-(trifluoromethyl)anilino]methylphosphonic acid Traditional Name: [6-nitro-3-(4-thioformylphenyl)-2-(trifluoromethyl)anilino]methylphosphonic acid Formula: C15H12F3N2O5PS MolecularWeight: 420.300151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=S)C2=C(C(=C(C=C2)[N+](=O)[O-])NCP(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C=S)C2=C(C(=C(C=C2)[N+](=O)[O-])NCP(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C15H12F3N2O5PS/c16-15(17,18)13-11(10-3-1-9(7-27)2-4-10)5-6-12(20(21)22)14(13)19-8-26(23,24)25/h1-7,19H,8H2,(H2,23,24,25)