[2-azanyl-4-[5-[4-[3,4-bis(trifluoromethyl)phenoxy]but-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[5-[4-[3,4-bis(trifluoromethyl)phenoxy]but-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[5-[4-[3,4-bis(trifluoromethyl)phenoxy]but-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[5-[4-[3,4-bis(trifluoromethyl)phenoxy]but-1-ynyl]-2-thiophenyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[5-[4-[3,4-bis(trifluoromethyl)phenoxy]but-1-ynyl]thiophen-2-yl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[5-[4-[3,4-bis(trifluoromethyl)phenoxy]but-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate Formula: C21H22F6NO5PS MolecularWeight: 545.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCOC2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCCOC2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)(COP(=O)(O)O)N

InChI

InChI=1S/C21H22F6NO5PS/c1-19(28,13-33-34(29,30)31)10-9-16-7-6-15(35-16)4-2-3-11-32-14-5-8-17(20(22,23)24)18(12-14)21(25,26)27/h5-8,12H,3,9-11,13,28H2,1H3,(H2,29,30,31)