2,4,6-tris(1-adamantylmethoxycarbonyl)benzenesulfonate

Systemtic Name: 2,4,6-tris(1-adamantylmethoxycarbonyl)benzenesulfonate Openeye Name: 2,4,6-tris(1-adamantylmethoxycarbonyl)benzenesulfonate CAS Name: 2,4,6-tris[1-adamantylmethoxy(oxo)methyl]benzenesulfonate IUPAC Name: 2,4,6-tris(1-adamantylmethoxycarbonyl)benzenesulfonate Traditional Name: 2,4,6-tris(1-adamantylmethoxycarbonyl)besylate Formula: C42H53O9S- MolecularWeight: 733.92982

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=C(C(=C4)C(=O)OCC56CC7CC(C5)CC(C7)C6)S(=O)(=O)[O-])C(=O)OCC89CC1CC(C8)CC(C1)C9

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=C(C(=C4)C(=O)OCC56CC7CC(C5)CC(C7)C6)S(=O)(=O)[O-])C(=O)OCC89CC1CC(C8)CC(C1)C9

InChI

InChI=1S/C42H54O9S/c43-37(49-21-40-12-24-1-25(13-40)3-26(2-24)14-40)33-10-34(38(44)50-22-41-15-27-4-28(16-41)6-29(5-27)17-41)36(52(46,47)48)35(11-33)39(45)51-23-42-18-30-7-31(19-42)9-32(8-30)20-42/h10-11,24-32H,1-9,12-23H2,(H,46,47,48)/p-1