(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-ethoxycarbonylisoxazol-5-yl)methyl-triphenyl-phosphonium bromide CAS Name: (3-ethoxycarbonyl-5-isoxazolyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl-triphenylphosphanium bromide Traditional Name: (3-carbethoxyisoxazol-5-yl)methyl-triphenyl-phosphonium bromide Formula: C25H23BrNO3P MolecularWeight: 496.332781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H23NO3P.BrH/c1-2-28-25(27)24-18-20(29-26-24)19-30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-18H,2,19H2,1H3;1H/q+1;/p-1