[3,5-bis(methoxycarbonyl)phenyl]-methyl-diphenyl-phosphanium; 4-methylbenzenesulfonate

Systemtic Name: [3,5-bis(methoxycarbonyl)phenyl]-methyl-diphenyl-phosphanium; 4-methylbenzenesulfonate Openeye Name: [3,5-bis(methoxycarbonyl)phenyl]-methyl-diphenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: [3,5-bis(methoxycarbonyl)phenyl]-methyl-diphenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: [3,5-bis(methoxycarbonyl)phenyl]-methyl-diphenylphosphanium; 4-methylbenzenesulfonate Traditional Name: (3,5-dicarbomethoxyphenyl)-methyl-diphenyl-phosphonium tosylate Formula: C30H29O7PS MolecularWeight: 564.585821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22O4P.C7H8O3S/c1-26-22(24)17-14-18(23(25)27-2)16-21(15-17)28(3,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-16H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1