[2-tert-butyl-4-(2-ethoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide

Systemtic Name: [2-tert-butyl-4-(2-ethoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [2-tert-butyl-4-(2-ethoxy-2-oxo-ethyl)-5-oxo-oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [2-tert-butyl-4-(2-ethoxy-2-oxoethyl)-5-oxo-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [2-tert-butyl-4-(2-ethoxy-2-oxoethyl)-5-oxo-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [2-tert-butyl-4-(2-ethoxy-2-keto-ethyl)-5-keto-2-oxazolin-4-yl]-triphenyl-phosphonium iodide Formula: C29H31INO4P MolecularWeight: 615.438971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C(=O)OC(=N1)C(C)(C)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CCOC(=O)CC1(C(=O)OC(=N1)C(C)(C)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C29H31NO4P.HI/c1-5-33-25(31)21-29(27(32)34-26(30-29)28(2,3)4)35(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24;/h6-20H,5,21H2,1-4H3;1H/q+1;/p-1