[3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]phenyl]-diphenyl-phosphanium bromide

Systemtic Name: [3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]phenyl]-diphenyl-phosphanium bromide Openeye Name: [3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]phenyl]-diphenyl-phosphonium bromide CAS Name: [3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]phenyl]-diphenylphosphonium bromide IUPAC Name: [3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]phenyl]-diphenylphosphanium bromide Traditional Name: [3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]phenyl]-diphenyl-phosphonium bromide Formula: C33H36BrO3P MolecularWeight: 591.514901

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=CC(=CC=C2)[PH+](C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=CC(=CC=C2)[PH+](C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C33H35O3P.BrH/c1-3-13-31-32(22-21-30(25(2)34)33(31)35)36-23-11-10-14-26-15-12-20-29(24-26)37(27-16-6-4-7-17-27)28-18-8-5-9-19-28;/h4-9,12,15-22,24,35H,3,10-11,13-14,23H2,1-2H3;1H