2-(1-phenylsulfonioethyl)-4,6-di(propan-2-yl)benzenesulfonate

Systemtic Name: 2-(1-phenylsulfonioethyl)-4,6-di(propan-2-yl)benzenesulfonate Openeye Name: 2,4-diisopropyl-6-(1-phenylsulfonioethyl)benzenesulfonate CAS Name: 2-(1-phenylsulfonioethyl)-4,6-di(propan-2-yl)benzenesulfonate IUPAC Name: 2-(1-phenylsulfonioethyl)-4,6-di(propan-2-yl)benzenesulfonate Traditional Name: 2,4-diisopropyl-6-(1-phenylsulfonioethyl)besylate Formula: C20H26O3S2 MolecularWeight: 378.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)[SH+]C2=CC=CC=C2)S(=O)(=O)[O-])C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)[SH+]C2=CC=CC=C2)S(=O)(=O)[O-])C(C)C

InChI

InChI=1S/C20H26O3S2/c1-13(2)16-11-18(14(3)4)20(25(21,22)23)19(12-16)15(5)24-17-9-7-6-8-10-17/h6-15H,1-5H3,(H,21,22,23)