[4-bromanyl-1,3-bis(oxidanylidene)-1-propan-2-yloxy-butan-2-yl]-triphenyl-phosphanium bromide

Systemtic Name: [4-bromanyl-1,3-bis(oxidanylidene)-1-propan-2-yloxy-butan-2-yl]-triphenyl-phosphanium bromide Openeye Name: (3-bromo-1-isopropoxycarbonyl-2-oxo-propyl)-triphenyl-phosphonium bromide CAS Name: (4-bromo-1,3-dioxo-1-propan-2-yloxybutan-2-yl)-triphenylphosphonium bromide IUPAC Name: (4-bromo-1,3-dioxo-1-propan-2-yloxybutan-2-yl)-triphenylphosphanium bromide Traditional Name: (3-bromo-1-isopropoxycarbonyl-2-keto-propyl)-triphenyl-phosphonium bromide Formula: C25H25Br2O3P MolecularWeight: 564.245961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrO3P.BrH/c1-19(2)29-25(28)24(23(27)18-26)30(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19,24H,18H2,1-2H3;1H/q+1;/p-1