benzene-1,3-dicarboxylic acid; tributyl-[phenyl(sulfo)methyl]phosphanium

Systemtic Name: benzene-1,3-dicarboxylic acid; tributyl-[phenyl(sulfo)methyl]phosphanium Openeye Name: isophthalic acid; tributyl-[phenyl(sulfo)methyl]phosphonium CAS Name: benzene-1,3-dicarboxylic acid; tributyl-[phenyl(sulfo)methyl]phosphonium IUPAC Name: benzene-1,3-dicarboxylic acid; tributyl-[phenyl(sulfo)methyl]phosphanium Traditional Name: isophthalic acid; tributyl-[phenyl(sulfo)methyl]phosphonium Formula: C27H40O7PS+ MolecularWeight: 539.641061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33O3PS.C8H6O4/c1-4-7-15-23(16-8-5-2,17-9-6-3)19(24(20,21)22)18-13-11-10-12-14-18;9-7(10)5-2-1-3-6(4-5)8(11)12/h10-14,19H,4-9,15-17H2,1-3H3;1-4H,(H,9,10)(H,11,12)/p+1