3-[5-(2-iodaniumylphenyl)-2-methoxy-phenyl]propyl-(2-methylnonan-2-yl)silicon; 4-methylbenzenesulfonate

Systemtic Name: 3-[5-(2-iodaniumylphenyl)-2-methoxy-phenyl]propyl-(2-methylnonan-2-yl)silicon; 4-methylbenzenesulfonate Openeye Name: 1,1-dimethyloctyl-[3-[5-(2-iodoniophenyl)-2-methoxy-phenyl]propyl]silicon; 4-methylbenzenesulfonate CAS Name: 3-[5-(2-iodoniophenyl)-2-methoxyphenyl]propyl-(2-methylnonan-2-yl)silicon; 4-methylbenzenesulfonate IUPAC Name: 3-[5-(2-iodoniophenyl)-2-methoxyphenyl]propyl-(2-methylnonan-2-yl)silicon; 4-methylbenzenesulfonate Traditional Name: 1,1-dimethyloctyl-[3-[5-(2-iodoniophenyl)-2-methoxy-phenyl]propyl]silicon tosylate Formula: C33H45IO4SSi MolecularWeight: 692.76297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C)[Si]CCCC1=C(C=CC(=C1)C2=CC=CC=C2[IH+])OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(C)(C)[Si]CCCC1=C(C=CC(=C1)C2=CC=CC=C2[IH+])OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H38IOSi.C7H8O3S/c1-5-6-7-8-11-18-26(2,3)29-19-12-13-22-20-21(16-17-25(22)28-4)23-14-9-10-15-24(23)27;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,14-17,20,27H,5-8,11-13,18-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1