5-(2-butylphenyl)nonan-5-ylphosphanium; 2-hexylbenzenesulfonate

Systemtic Name: 5-(2-butylphenyl)nonan-5-ylphosphanium; 2-hexylbenzenesulfonate Openeye Name: [1-butyl-1-(2-butylphenyl)pentyl]phosphonium; 2-hexylbenzenesulfonate CAS Name: 5-(2-butylphenyl)nonan-5-ylphosphonium; 2-hexylbenzenesulfonate IUPAC Name: 5-(2-butylphenyl)nonan-5-ylphosphanium; 2-hexylbenzenesulfonate Traditional Name: [1-butyl-1-(2-butylphenyl)pentyl]phosphonium; 2-hexylbesylate Formula: C31H51O3PS MolecularWeight: 534.773601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC1=CC=CC=C1C(CCCC)(CCCC)[PH3+]

Isomeric SMILES

CCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC1=CC=CC=C1C(CCCC)(CCCC)[PH3+]

InChI

InChI=1S/C19H33P.C12H18O3S/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3;1-2-3-4-5-8-11-9-6-7-10-12(11)16(13,14)15/h10-11,13-14H,4-9,12,15-16,20H2,1-3H3;6-7,9-10H,2-5,8H2,1H3,(H,13,14,15)