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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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

CC(C)CC(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/c1-22(2)21-29(35,30(31,32)33)26(27(34)36-28(3,4)5)37(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,35H,21H2,1-5H3