[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyl-iodanium; 4-(phenylmethyl)benzenesulfonate

Systemtic Name: [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyl-iodanium; 4-(phenylmethyl)benzenesulfonate Openeye Name: 4-benzylbenzenesulfonate; (4-tert-butoxyphenyl)-phenyl-iodonium CAS Name: [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodonium; 4-(phenylmethyl)benzenesulfonate IUPAC Name: 4-benzylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodanium Traditional Name: 4-benzylbesylate; (4-tert-butoxyphenyl)-phenyl-iodonium Formula: C29H29IO4S MolecularWeight: 600.50763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C16H18IO.C13H12O3S/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13;14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h4-12H,1-3H3;1-9H,10H2,(H,14,15,16)/q+1;/p-1