3-[3,4-bis(chloranyl)-2-docosyl-phenyl]pentan-3-ylphosphanium

Systemtic Name: 3-[3,4-bis(chloranyl)-2-docosyl-phenyl]pentan-3-ylphosphanium Openeye Name: [1-(3,4-dichloro-2-docosyl-phenyl)-1-ethyl-propyl]phosphonium CAS Name: 3-(3,4-dichloro-2-docosylphenyl)pentan-3-ylphosphonium IUPAC Name: 3-(3,4-dichloro-2-docosylphenyl)pentan-3-ylphosphanium Traditional Name: [1-(2-behenyl-3,4-dichloro-phenyl)-1-ethyl-propyl]phosphonium Formula: C33H60Cl2P+ MolecularWeight: 558.709261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(CC)(CC)[PH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(CC)(CC)[PH3+]

InChI

InChI=1S/C33H59Cl2P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-30(33(36,5-2)6-3)27-28-31(34)32(29)35/h27-28H,4-26,36H2,1-3H3/p+1