[2-[[4-methoxy-3-(trifluoromethyl)phenyl]amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid

Systemtic Name: [2-[[4-methoxy-3-(trifluoromethyl)phenyl]amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid Openeye Name: [2-[4-methoxy-3-(trifluoromethyl)anilino]-1-phosphono-2-thioxo-ethyl]phosphonic acid CAS Name: [2-[4-methoxy-3-(trifluoromethyl)anilino]-1-phosphono-2-sulfanylideneethyl]phosphonic acid IUPAC Name: [2-[4-methoxy-3-(trifluoromethyl)anilino]-1-phosphono-2-sulfanylideneethyl]phosphonic acid Traditional Name: [2-[4-methoxy-3-(trifluoromethyl)anilino]-1-phosphono-2-thioxo-ethyl]phosphonic acid Formula: C10H12F3NO7P2S MolecularWeight: 409.212512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C10H12F3NO7P2S/c1-21-7-3-2-5(4-6(7)10(11,12)13)14-8(24)9(22(15,16)17)23(18,19)20/h2-4,9H,1H3,(H,14,24)(H2,15,16,17)(H2,18,19,20)