3,5-dicarboxybenzenesulfonate; trioctylphosphanium

Systemtic Name: 3,5-dicarboxybenzenesulfonate; trioctylphosphanium Openeye Name: 3,5-dicarboxybenzenesulfonate; trioctylphosphonium CAS Name: 3,5-dicarboxybenzenesulfonate; trioctylphosphonium IUPAC Name: 3,5-dicarboxybenzenesulfonate; trioctylphosphanium Traditional Name: 3,5-dicarboxybesylate; trioctylphosphonium Formula: C32H57O7PS MolecularWeight: 616.829541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C24H51P.C8H6O7S/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h4-24H2,1-3H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)