4-methylbenzenesulfonate; triphenyl(2-triphenylphosphaniumylethyl)phosphanium

Systemtic Name: 4-methylbenzenesulfonate; triphenyl(2-triphenylphosphaniumylethyl)phosphanium Openeye Name: 4-methylbenzenesulfonate; triphenyl(2-triphenylphosphaniumylethyl)phosphonium CAS Name: 4-methylbenzenesulfonate; triphenyl(2-triphenylphosphiniumylethyl)phosphonium IUPAC Name: 4-methylbenzenesulfonate; triphenyl(2-triphenylphosphaniumylethyl)phosphanium Traditional Name: triphenyl(2-triphenylphosphiniumylethyl)phosphonium ditosylate Formula: C52H48O6P2S2 MolecularWeight: 895.011442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H34P2.2C7H8O3S/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-30H,31-32H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2