4-methylbenzenesulfonate; methyl-tris(4-methylphenyl)phosphanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-tris(4-methylphenyl)phosphanium Openeye Name: 4-methylbenzenesulfonate; methyl(tris-p-tolyl)phosphonium CAS Name: 4-methylbenzenesulfonate; methyl-tris(4-methylphenyl)phosphonium IUPAC Name: 4-methylbenzenesulfonate; methyl-tris(4-methylphenyl)phosphanium Traditional Name: methyl(tris-p-tolyl)phosphonium tosylate Formula: C29H31O3PS MolecularWeight: 490.593401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24P.C7H8O3S/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1