ethyl 2-diethoxyphosphoryl-4-methyl-3-[2-oxidanyl-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-pentanoate

Systemtic Name: ethyl 2-diethoxyphosphoryl-4-methyl-3-[2-oxidanyl-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-pentanoate Openeye Name: ethyl 2-diethoxyphosphoryl-3-[2-hydroxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-methyl-pentanoate CAS Name: 2-diethoxyphosphoryl-3-[[2-hydroxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-diethoxyphosphoryl-3-[2-hydroxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-methylpentanoate Traditional Name: 2-diethoxyphosphoryl-3-[[2-hydroxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-4-methyl-valeric acid ethyl ester Formula: C27H36F3O6PS MolecularWeight: 576.605111

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)C)SC(C1=CC=CC=C1)C(C2=CC(=CC=C2)C(F)(F)F)O)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(C(C(C)C)SC(C1=CC=CC=C1)C(C2=CC(=CC=C2)C(F)(F)F)O)P(=O)(OCC)OCC

InChI

InChI=1S/C27H36F3O6PS/c1-6-34-26(32)23(37(33,35-7-2)36-8-3)24(18(4)5)38-25(19-13-10-9-11-14-19)22(31)20-15-12-16-21(17-20)27(28,29)30/h9-18,22-25,31H,6-8H2,1-5H3