3,4-diethylhexan-3-ylphosphanium; 2-pentadecylbenzenesulfonic acid

Systemtic Name: 3,4-diethylhexan-3-ylphosphanium; 2-pentadecylbenzenesulfonic acid Openeye Name: 2-pentadecylbenzenesulfonic acid; 1,1,2-triethylbutylphosphonium CAS Name: 3,4-diethylhexan-3-ylphosphonium; 2-pentadecylbenzenesulfonic acid IUPAC Name: 3,4-diethylhexan-3-ylphosphanium; 2-pentadecylbenzenesulfonic acid Traditional Name: 2-pentadecylbesylic acid; 1,1,2-triethylbutylphosphonium Formula: C31H60O3PS+ MolecularWeight: 543.845061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCC(CC)C(CC)(CC)[PH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCC(CC)C(CC)(CC)[PH3+]

InChI

InChI=1S/C21H36O3S.C10H23P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)25(22,23)24;1-5-9(6-2)10(11,7-3)8-4/h15-16,18-19H,2-14,17H2,1H3,(H,22,23,24);9H,5-8,11H2,1-4H3/p+1