1-(2-ethoxy-4-oxidanylidene-3,1-benzoxazin-5-yl)butyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(2-ethoxy-4-oxidanylidene-3,1-benzoxazin-5-yl)butyl-triphenyl-phosphanium bromide Openeye Name: 1-(2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)butyl-triphenyl-phosphonium bromide CAS Name: 1-(2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)butyl-triphenylphosphonium bromide IUPAC Name: 1-(2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)butyl-triphenylphosphanium bromide Traditional Name: 1-(2-ethoxy-4-keto-3,1-benzoxazin-5-yl)butyl-triphenyl-phosphonium bromide Formula: C32H31BrNO3P MolecularWeight: 588.471201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C2C(=CC=C1)N=C(OC2=O)OCC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCCC(C1=C2C(=CC=C1)N=C(OC2=O)OCC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H31NO3P.BrH/c1-3-15-29(27-22-14-23-28-30(27)31(34)36-32(33-28)35-4-2)37(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26;/h5-14,16-23,29H,3-4,15H2,1-2H3;1H/q+1;/p-1