[1-phosphono-2-sulfanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]phosphonic acid

Systemtic Name: [1-phosphono-2-sulfanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]phosphonic acid Openeye Name: [1-phosphono-2-thioxo-2-[3-(trifluoromethyl)anilino]ethyl]phosphonic acid CAS Name: [1-phosphono-2-sulfanylidene-2-[3-(trifluoromethyl)anilino]ethyl]phosphonic acid IUPAC Name: [1-phosphono-2-sulfanylidene-2-[3-(trifluoromethyl)anilino]ethyl]phosphonic acid Traditional Name: [1-phosphono-2-thioxo-2-[3-(trifluoromethyl)anilino]ethyl]phosphonic acid Formula: C9H10F3NO6P2S MolecularWeight: 379.186532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C9H10F3NO6P2S/c10-9(11,12)5-2-1-3-6(4-5)13-7(22)8(20(14,15)16)21(17,18)19/h1-4,8H,(H,13,22)(H2,14,15,16)(H2,17,18,19)