[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylphenyl]-pentyl-diphenyl-phosphanium bromide

Systemtic Name: [3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylphenyl]-pentyl-diphenyl-phosphanium bromide Openeye Name: [3-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylphenyl]-pentyl-diphenyl-phosphonium bromide CAS Name: [3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]phenyl]-pentyl-diphenylphosphonium bromide IUPAC Name: [3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylphenyl]-pentyl-diphenylphosphanium bromide Traditional Name: [3-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]phenyl]-amyl-diphenyl-phosphonium bromide Formula: C34H38BrO2PS MolecularWeight: 621.607081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC(=CC=C3)SC4=C(C(=C(C=C4)C(=O)C)O)CCC.[Br-]

Isomeric SMILES

CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC(=CC=C3)SC4=C(C(=C(C=C4)C(=O)C)O)CCC.[Br-]

InChI

InChI=1S/C34H37O2PS.BrH/c1-4-6-13-24-37(27-16-9-7-10-17-27,28-18-11-8-12-19-28)29-20-14-21-30(25-29)38-33-23-22-31(26(3)35)34(36)32(33)15-5-2;/h7-12,14,16-23,25H,4-6,13,15,24H2,1-3H3;1H