9,10-dimethoxyanthracene-2-sulfonate; tris(2-tert-butylphenyl)-$l^{3}-iodane

Systemtic Name: 9,10-dimethoxyanthracene-2-sulfonate; tris(2-tert-butylphenyl)-$l^{3}-iodane Openeye Name: 9,10-dimethoxyanthracene-2-sulfonate; tris(2-tert-butylphenyl)-$l^{3}-iodane CAS Name: 9,10-dimethoxy-2-anthracenesulfonate; tris(2-tert-butylphenyl)-$l^{3}-iodane IUPAC Name: 9,10-dimethoxyanthracene-2-sulfonate; tris(2-tert-butylphenyl)-$l^{3}-iodane Traditional Name: 9,10-dimethoxyanthracene-2-sulfonate; tris(2-tert-butylphenyl)-$l^{3}-iodane Formula: C46H52IO5S- MolecularWeight: 843.87155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1I(C2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3C(C)(C)C.COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1I(C2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3C(C)(C)C.COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39I.C16H14O5S/c1-28(2,3)22-16-10-13-19-25(22)31(26-20-14-11-17-23(26)29(4,5)6)27-21-15-12-18-24(27)30(7,8)9;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15/h10-21H,1-9H3;3-9H,1-2H3,(H,17,18,19)/p-1