dimethyl 4-ethanoyl-3-(trifluoromethyl)-6-(triphenyl-$l^{5}-phosphanylidene)hept-2-enedioate

Systemtic Name: dimethyl 4-ethanoyl-3-(trifluoromethyl)-6-(triphenyl-$l^{5}-phosphanylidene)hept-2-enedioate Openeye Name: dimethyl 4-acetyl-3-(trifluoromethyl)-6-(triphenyl-$l^{5}-phosphanylidene)hept-2-enedioate CAS Name: 4-acetyl-3-(trifluoromethyl)-6-triphenylphosphoranylidene-2-heptenedioic acid dimethyl ester IUPAC Name: dimethyl 4-acetyl-3-(trifluoromethyl)-6-(triphenyl-$l^{5}-phosphanylidene)hept-2-enedioate Traditional Name: 4-acetyl-3-(trifluoromethyl)-6-triphenylphosphoranylidene-hept-2-enedioic acid dimethyl ester Formula: C30H28F3O5P MolecularWeight: 556.509291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28F3O5P/c1-21(34)25(26(30(31,32)33)20-28(35)37-2)19-27(29(36)38-3)39(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20,25H,19H2,1-3H3