(4-methoxycarbonylphenyl)methyl-triphenyl-phosphanium; 4-methylbenzenesulfonate

Systemtic Name: (4-methoxycarbonylphenyl)methyl-triphenyl-phosphanium; 4-methylbenzenesulfonate Openeye Name: (4-methoxycarbonylphenyl)methyl-triphenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: (4-methoxycarbonylphenyl)methyl-triphenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: (4-methoxycarbonylphenyl)methyl-triphenylphosphanium; 4-methylbenzenesulfonate Traditional Name: (4-carbomethoxybenzyl)-triphenyl-phosphonium tosylate Formula: C34H31O5PS MolecularWeight: 582.645701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24O2P.C7H8O3S/c1-29-27(28)23-19-17-22(18-20-23)21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;1-6-2-4-7(5-3-6)11(8,9)10/h2-20H,21H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1