(4-ethoxy-1-oxidanyl-1-oxidanylidene-butan-2-yl)-triphenyl-phosphanium bromide

Systemtic Name: (4-ethoxy-1-oxidanyl-1-oxidanylidene-butan-2-yl)-triphenyl-phosphanium bromide Openeye Name: (1-carboxy-3-ethoxy-propyl)-triphenyl-phosphonium bromide CAS Name: (4-ethoxy-1-hydroxy-1-oxobutan-2-yl)-triphenylphosphonium bromide IUPAC Name: (4-ethoxy-1-hydroxy-1-oxobutan-2-yl)-triphenylphosphanium bromide Traditional Name: (1-carboxy-3-ethoxy-propyl)-triphenyl-phosphonium bromide Formula: C24H26BrO3P MolecularWeight: 473.339201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25O3P.BrH/c1-2-27-19-18-23(24(25)26)28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,23H,2,18-19H2,1H3;1H