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

Systemtic Name: (2-ethoxy-4-oxidanylidene-3,1-benzoxazin-5-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)methyl-triphenyl-phosphonium bromide CAS Name: (2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)methyl-triphenylphosphonium bromide IUPAC Name: (2-ethoxy-4-oxo-3,1-benzoxazin-5-yl)methyl-triphenylphosphanium bromide Traditional Name: (2-ethoxy-4-keto-3,1-benzoxazin-5-yl)methyl-triphenyl-phosphonium bromide Formula: C29H25BrNO3P MolecularWeight: 546.391461

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H25NO3P.BrH/c1-2-32-29-30-26-20-12-13-22(27(26)28(31)33-29)21-34(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25;/h3-20H,2,21H2,1H3;1H/q+1;/p-1