3,5-dicarboxybenzenesulfonate; tris(phenylmethyl)phosphanium

Systemtic Name: 3,5-dicarboxybenzenesulfonate; tris(phenylmethyl)phosphanium Openeye Name: 3,5-dicarboxybenzenesulfonate; tribenzylphosphonium CAS Name: 3,5-dicarboxybenzenesulfonate; tris(phenylmethyl)phosphonium IUPAC Name: 3,5-dicarboxybenzenesulfonate; tribenzylphosphanium Traditional Name: 3,5-dicarboxybesylate; tribenzylphosphonium Formula: C29H27O7PS MolecularWeight: 550.559241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[PH+](CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[PH+](CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C21H21P.C8H6O7S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-15H,16-18H2;1-3H,(H,9,10)(H,11,12)(H,13,14,15)