4-(2-cyclohexylethoxycarbonyl)benzenesulfonate; diphenyliodanium

Systemtic Name: 4-(2-cyclohexylethoxycarbonyl)benzenesulfonate; diphenyliodanium Openeye Name: 4-(2-cyclohexylethoxycarbonyl)benzenesulfonate; diphenyliodonium CAS Name: 4-[2-cyclohexylethoxy(oxo)methyl]benzenesulfonate; diphenyliodonium IUPAC Name: 4-(2-cyclohexylethoxycarbonyl)benzenesulfonate; diphenyliodanium Traditional Name: 4-(2-cyclohexylethoxycarbonyl)besylate; diphenyliodonium Formula: C27H29IO5S MolecularWeight: 592.48563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C15H20O5S.C12H10I/c16-15(20-11-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)21(17,18)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-9,12H,1-5,10-11H2,(H,17,18,19);1-10H/q;+1/p-1