(4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-ethoxycarbonylthiazol-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: (4-ethoxycarbonyl-2-thiazolyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (4-carbethoxythiazol-2-yl)methyl-triphenyl-phosphonium bromide Formula: C25H23BrNO2PS MolecularWeight: 512.398381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H23NO2PS.BrH/c1-2-28-25(27)23-19-30-24(26-23)18-29(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,2,18H2,1H3;1H/q+1;/p-1