[2-(methylsulfonylamino)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(methylsulfonylamino)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-triphenyl-phosphanium bromide Openeye Name: [1-carboxy-1-(methanesulfonamido)butyl]-triphenyl-phosphonium bromide CAS Name: [1-hydroxy-2-(methanesulfonamido)-1-oxopentan-2-yl]-triphenylphosphonium bromide IUPAC Name: [1-hydroxy-2-(methanesulfonamido)-1-oxopentan-2-yl]-triphenylphosphanium bromide Traditional Name: [1-carboxy-1-(methanesulfonamido)butyl]-triphenyl-phosphonium bromide Formula: C24H27BrNO4PS MolecularWeight: 536.418241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26NO4PS.BrH/c1-3-19-24(23(26)27,25-31(2,28)29)30(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18,25H,3,19H2,1-2H3;1H