benzene-1,3-dicarboxylic acid; tributyl-(2-sulfophenyl)phosphanium

Systemtic Name: benzene-1,3-dicarboxylic acid; tributyl-(2-sulfophenyl)phosphanium Openeye Name: isophthalic acid; tributyl-(2-sulfophenyl)phosphonium CAS Name: benzene-1,3-dicarboxylic acid; tributyl-(2-sulfophenyl)phosphonium IUPAC Name: benzene-1,3-dicarboxylic acid; tributyl-(2-sulfophenyl)phosphanium Traditional Name: isophthalic acid; tributyl-(2-sulfophenyl)phosphonium Formula: C26H38O7PS+ MolecularWeight: 525.614481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)C1=CC=CC=C1S(=O)(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)C1=CC=CC=C1S(=O)(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H31O3PS.C8H6O4/c1-4-7-14-22(15-8-5-2,16-9-6-3)17-12-10-11-13-18(17)23(19,20)21;9-7(10)5-2-1-3-6(4-5)8(11)12/h10-13H,4-9,14-16H2,1-3H3;1-4H,(H,9,10)(H,11,12)/p+1