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

Systemtic Name: 4-methylbenzenesulfonate; tris(4-methoxycarbonylphenyl)-methyl-phosphanium Openeye Name: 4-methylbenzenesulfonate; tris(4-methoxycarbonylphenyl)-methyl-phosphonium CAS Name: 4-methylbenzenesulfonate; tris(4-methoxycarbonylphenyl)-methylphosphonium IUPAC Name: 4-methylbenzenesulfonate; tris(4-methoxycarbonylphenyl)-methylphosphanium Traditional Name: tris(4-carbomethoxyphenyl)-methyl-phosphonium tosylate Formula: C32H31O9PS MolecularWeight: 622.621901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O6P.C7H8O3S/c1-29-23(26)17-5-11-20(12-6-17)32(4,21-13-7-18(8-14-21)24(27)30-2)22-15-9-19(10-16-22)25(28)31-3;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1