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

Systemtic Name: 1-(2-ethoxy-4-oxidanylidene-3,1-benzoxazin-5-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(2-ethoxy-4-keto-3,1-benzoxazin-5-yl)ethyl-triphenyl-phosphonium bromide Formula: C30H27BrNO3P MolecularWeight: 560.418041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC=CC(=C2C(=O)O1)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCOC1=NC2=CC=CC(=C2C(=O)O1)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H27NO3P.BrH/c1-3-33-30-31-27-21-13-20-26(28(27)29(32)34-30)22(2)35(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25;/h4-22H,3H2,1-2H3;1H/q+1;/p-1