[1-azanyl-1-phosphono-3-[3-(trifluoromethyl)phenyl]sulfanyl-propyl]phosphonic acid

Systemtic Name: [1-azanyl-1-phosphono-3-[3-(trifluoromethyl)phenyl]sulfanyl-propyl]phosphonic acid Openeye Name: [1-amino-1-phosphono-3-[3-(trifluoromethyl)phenyl]sulfanyl-propyl]phosphonic acid CAS Name: [1-amino-1-phosphono-3-[[3-(trifluoromethyl)phenyl]thio]propyl]phosphonic acid IUPAC Name: [1-amino-1-phosphono-3-[3-(trifluoromethyl)phenyl]sulfanylpropyl]phosphonic acid Traditional Name: [1-amino-1-phosphono-3-[[3-(trifluoromethyl)phenyl]thio]propyl]phosphonic acid Formula: C10H14F3NO6P2S MolecularWeight: 395.228992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCCC(N)(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCCC(N)(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C10H14F3NO6P2S/c11-10(12,13)7-2-1-3-8(6-7)23-5-4-9(14,21(15,16)17)22(18,19)20/h1-3,6H,4-5,14H2,(H2,15,16,17)(H2,18,19,20)