(4-methoxycarbonylphenyl)-[2-[(4-methoxycarbonylphenyl)-diphenyl-phosphaniumyl]ethyl]-diphenyl-phosphanium; 4-methylbenzenesulfonate

Systemtic Name: (4-methoxycarbonylphenyl)-[2-[(4-methoxycarbonylphenyl)-diphenyl-phosphaniumyl]ethyl]-diphenyl-phosphanium; 4-methylbenzenesulfonate Openeye Name: (4-methoxycarbonylphenyl)-[2-[(4-methoxycarbonylphenyl)-diphenyl-phosphaniumyl]ethyl]-diphenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: (4-methoxycarbonylphenyl)-[2-[(4-methoxycarbonylphenyl)-diphenylphosphiniumyl]ethyl]-diphenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: (4-methoxycarbonylphenyl)-[2-[(4-methoxycarbonylphenyl)-diphenylphosphaniumyl]ethyl]-diphenylphosphanium; 4-methylbenzenesulfonate Traditional Name: (4-carbomethoxyphenyl)-[2-[(4-carbomethoxyphenyl)-diphenyl-phosphiniumyl]ethyl]-diphenyl-phosphonium ditosylate Formula: C56H52O10P2S2 MolecularWeight: 1011.083602

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C42H38O4P2.2C7H8O3S/c1-45-41(43)33-23-27-39(28-24-33)47(35-15-7-3-8-16-35,36-17-9-4-10-18-36)31-32-48(37-19-11-5-12-20-37,38-21-13-6-14-22-38)40-29-25-34(26-30-40)42(44)46-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-30H,31-32H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2