tert-butyl 3-oxidanyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate

Systemtic Name: tert-butyl 3-oxidanyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate Openeye Name: tert-butyl 3-hydroxy-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate CAS Name: 3-hydroxy-3-(trifluoromethyl)-2-triphenylphosphoranylideneheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate Traditional Name: 3-hydroxy-3-(trifluoromethyl)-2-triphenylphosphoranylidene-enanthic acid tert-butyl ester Formula: C30H34F3O3P MolecularWeight: 530.558131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)(C(F)(F)F)O

Isomeric SMILES

CCCCC(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)(C(F)(F)F)O

InChI

InChI=1S/C30H34F3O3P/c1-5-6-22-29(35,30(31,32)33)26(27(34)36-28(2,3)4)37(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,35H,5-6,22H2,1-4H3