5-butyldecan-5-ylphosphanium; 2-tridecylbenzenesulfonic acid

Systemtic Name: 5-butyldecan-5-ylphosphanium; 2-tridecylbenzenesulfonic acid Openeye Name: 1,1-dibutylhexylphosphonium; 2-tridecylbenzenesulfonic acid CAS Name: 5-butyldecan-5-ylphosphonium; 2-tridecylbenzenesulfonic acid IUPAC Name: 5-butyldecan-5-ylphosphanium; 2-tridecylbenzenesulfonic acid Traditional Name: 1,1-dibutylhexylphosphonium; 2-tridecylbesylic acid Formula: C33H64O3PS+ MolecularWeight: 571.898221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCC(CCCC)(CCCC)[PH3+]

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCC(CCCC)(CCCC)[PH3+]

InChI

InChI=1S/C19H32O3S.C14H31P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22;1-4-7-10-13-14(15,11-8-5-2)12-9-6-3/h13-14,16-17H,2-12,15H2,1H3,(H,20,21,22);4-13,15H2,1-3H3/p+1