[(3S)-3-oxidanylheptyl]-triphenyl-phosphanium bromide

Systemtic Name: [(3S)-3-oxidanylheptyl]-triphenyl-phosphanium bromide Openeye Name: [(3S)-3-hydroxyheptyl]-triphenyl-phosphonium bromide CAS Name: [(3S)-3-hydroxyheptyl]-triphenylphosphonium bromide IUPAC Name: [(3S)-3-hydroxyheptyl]-triphenylphosphanium bromide Traditional Name: [(3S)-3-hydroxyheptyl]-triphenyl-phosphonium bromide Formula: C25H30BrOP MolecularWeight: 457.382861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30OP.BrH/c1-2-3-13-22(26)20-21-27(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25;/h4-12,14-19,22,26H,2-3,13,20-21H2,1H3;1H/q+1;/p-1/t22-;/m0./s1