9,10-dimethoxyanthracene-1-sulfonate; diphenyliodanium

Systemtic Name: 9,10-dimethoxyanthracene-1-sulfonate; diphenyliodanium Openeye Name: 9,10-dimethoxyanthracene-1-sulfonate; diphenyliodonium CAS Name: 9,10-dimethoxy-1-anthracenesulfonate; diphenyliodonium IUPAC Name: 9,10-dimethoxyanthracene-1-sulfonate; diphenyliodanium Traditional Name: 9,10-dimethoxyanthracene-1-sulfonate; diphenyliodonium Formula: C28H23IO5S MolecularWeight: 598.44869

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

COC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C16H14O5S.C12H10I/c1-20-15-10-6-3-4-7-11(10)16(21-2)14-12(15)8-5-9-13(14)22(17,18)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-9H,1-2H3,(H,17,18,19);1-10H/q;+1/p-1