[4-[4-(4-butylphenyl)phenyl]cyclohexyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-[4-(4-butylphenyl)phenyl]cyclohexyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-[4-(4-butylphenyl)phenyl]cyclohexyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[4-(4-butylphenyl)phenyl]cyclohexyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[4-(4-butylphenyl)phenyl]cyclohexyl]methyl-triphenylphosphanium bromide Traditional Name: [4-[4-(4-butylphenyl)phenyl]cyclohexyl]methyl-triphenyl-phosphonium bromide Formula: C41H44BrP MolecularWeight: 647.665821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C41H44P.BrH/c1-2-3-13-33-20-24-35(25-21-33)37-28-30-38(31-29-37)36-26-22-34(23-27-36)32-42(39-14-7-4-8-15-39,40-16-9-5-10-17-40)41-18-11-6-12-19-41;/h4-12,14-21,24-25,28-31,34,36H,2-3,13,22-23,26-27,32H2,1H3;1H/q+1;/p-1