ethanol; [[(4-fluorophenyl)amino]-thiophen-2-yl-methyl]phosphonic acid

Systemtic Name: ethanol; [[(4-fluorophenyl)amino]-thiophen-2-yl-methyl]phosphonic acid Openeye Name: ethanol; [(4-fluoroanilino)-(2-thienyl)methyl]phosphonic acid CAS Name: ethanol; [(4-fluoroanilino)-thiophen-2-ylmethyl]phosphonic acid IUPAC Name: ethanol; [(4-fluoroanilino)-thiophen-2-ylmethyl]phosphonic acid Traditional Name: ethanol; [(4-fluoroanilino)-(2-thienyl)methyl]phosphonic acid Formula: C13H17FNO4PS MolecularWeight: 333.315544

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CSC(=C1)C(NC2=CC=C(C=C2)F)P(=O)(O)O

Isomeric SMILES

CCO.C1=CSC(=C1)C(NC2=CC=C(C=C2)F)P(=O)(O)O

InChI

InChI=1S/C11H11FNO3PS.C2H6O/c12-8-3-5-9(6-4-8)13-11(17(14,15)16)10-2-1-7-18-10;1-2-3/h1-7,11,13H,(H2,14,15,16);3H,2H2,1H3