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

Systemtic Name: benzene-1,3-dicarboxylic acid; tributyl(2-sulfoethyl)phosphanium Openeye Name: isophthalic acid; tributyl(2-sulfoethyl)phosphonium CAS Name: benzene-1,3-dicarboxylic acid; tributyl(2-sulfoethyl)phosphonium IUPAC Name: benzene-1,3-dicarboxylic acid; tributyl(2-sulfoethyl)phosphanium Traditional Name: isophthalic acid; tributyl(2-sulfoethyl)phosphonium Formula: C22H38O7PS+ MolecularWeight: 477.571681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H31O3PS.C8H6O4/c1-4-7-10-18(11-8-5-2,12-9-6-3)13-14-19(15,16)17;9-7(10)5-2-1-3-6(4-5)8(11)12/h4-14H2,1-3H3;1-4H,(H,9,10)(H,11,12)/p+1