4-methylbenzenesulfonate; triphenyl(3-sulfopropyl)phosphanium

Systemtic Name: 4-methylbenzenesulfonate; triphenyl(3-sulfopropyl)phosphanium Openeye Name: 4-methylbenzenesulfonate; triphenyl(3-sulfopropyl)phosphonium CAS Name: 4-methylbenzenesulfonate; triphenyl(3-sulfopropyl)phosphonium IUPAC Name: 4-methylbenzenesulfonate; triphenyl(3-sulfopropyl)phosphanium Traditional Name: triphenyl(3-sulfopropyl)phosphonium tosylate Formula: C28H29O6PS2 MolecularWeight: 556.630021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CCCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CCCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21O3PS.C7H8O3S/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,11-16H,10,17-18H2;2-5H,1H3,(H,8,9,10)