(4-methoxyphenyl)-phenyl-iodanium; 4-(phenylmethyl)benzenesulfonate

Systemtic Name: (4-methoxyphenyl)-phenyl-iodanium; 4-(phenylmethyl)benzenesulfonate Openeye Name: 4-benzylbenzenesulfonate; (4-methoxyphenyl)-phenyl-iodonium CAS Name: (4-methoxyphenyl)-phenyliodonium; 4-(phenylmethyl)benzenesulfonate IUPAC Name: 4-benzylbenzenesulfonate; (4-methoxyphenyl)-phenyliodanium Traditional Name: 4-benzylbesylate; (4-methoxyphenyl)-phenyl-iodonium Formula: C26H23IO4S MolecularWeight: 558.42789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C13H12IO.C13H12O3S/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h2-10H,1H3;1-9H,10H2,(H,14,15,16)/q+1;/p-1