5-sulfobenzene-1,3-dicarboxylic acid; tetrabutylphosphanium

Systemtic Name: 5-sulfobenzene-1,3-dicarboxylic acid; tetrabutylphosphanium Openeye Name: 5-sulfobenzene-1,3-dicarboxylic acid; tetrabutylphosphonium CAS Name: 5-sulfobenzene-1,3-dicarboxylic acid; tetrabutylphosphonium IUPAC Name: 5-sulfobenzene-1,3-dicarboxylic acid; tetrabutylphosphanium Traditional Name: 5-sulfoisophthalic acid; tetrabutylphosphonium Formula: C24H42O7PS+ MolecularWeight: 505.624841

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CCCC.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CCCC.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H36P.C8H6O7S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h5-16H2,1-4H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q+1;