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

Systemtic Name: (4-methoxycarbonylphenyl)-diphenyl-phosphanium; methyl 4-methylbenzenesulfonate Openeye Name: (4-methoxycarbonylphenyl)-diphenyl-phosphonium; methyl 4-methylbenzenesulfonate CAS Name: (4-methoxycarbonylphenyl)-diphenylphosphonium; 4-methylbenzenesulfonic acid methyl ester IUPAC Name: (4-methoxycarbonylphenyl)-diphenylphosphanium; methyl 4-methylbenzenesulfonate Traditional Name: (4-carbomethoxyphenyl)-diphenyl-phosphonium; 4-methylbenzenesulfonic acid methyl ester Formula: C28H28O5PS+ MolecularWeight: 507.557681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC.COC(=O)C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC.COC(=O)C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17O2P.C8H10O3S/c1-22-20(21)16-12-14-19(15-13-16)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-7-3-5-8(6-4-7)12(9,10)11-2/h2-15H,1H3;3-6H,1-2H3/p+1