[3,4-bis(methoxycarbonyl)phenyl]methyl-triphenyl-phosphanium; 4-methylbenzenesulfonate

Systemtic Name: [3,4-bis(methoxycarbonyl)phenyl]methyl-triphenyl-phosphanium; 4-methylbenzenesulfonate Openeye Name: [3,4-bis(methoxycarbonyl)phenyl]methyl-triphenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: [3,4-bis(methoxycarbonyl)phenyl]methyl-triphenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: [3,4-bis(methoxycarbonyl)phenyl]methyl-triphenylphosphanium; 4-methylbenzenesulfonate Traditional Name: (3,4-dicarbomethoxybenzyl)-triphenyl-phosphonium tosylate Formula: C36H33O7PS MolecularWeight: 640.681781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26O4P.C7H8O3S/c1-32-28(30)26-19-18-22(20-27(26)29(31)33-2)21-34(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;1-6-2-4-7(5-3-6)11(8,9)10/h3-20H,21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1