[[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[[4-nitro-3-(trifluoromethyl)phenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[[4-nitro-3-(trifluoromethyl)phenyl]thio]-phosphono-methyl]phosphonic acid Formula: C8H8F3NO8P2S MolecularWeight: 397.158752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC(P(=O)(O)O)P(=O)(O)O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SC(P(=O)(O)O)P(=O)(O)O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C8H8F3NO8P2S/c9-8(10,11)5-3-4(1-2-6(5)12(13)14)23-7(21(15,16)17)22(18,19)20/h1-3,7H,(H2,15,16,17)(H2,18,19,20)