[2-(4-octoxyphenyl)phenyl]iodanium; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-(4-octoxyphenyl)phenyl]iodanium; 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(4-octoxyphenyl)phenyl]iodonium; 3,4,5-trihydroxybenzoate CAS Name: [2-(4-octoxyphenyl)phenyl]iodonium; 3,4,5-trihydroxybenzoate IUPAC Name: [2-(4-octoxyphenyl)phenyl]iodanium; 3,4,5-trihydroxybenzoate Traditional Name: [2-(4-octoxyphenyl)phenyl]iodonium; 3,4,5-trihydroxybenzoate Formula: C27H31IO6 MolecularWeight: 578.43591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2[IH+].C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2[IH+].C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C20H26IO.C7H6O5/c1-2-3-4-5-6-9-16-22-18-14-12-17(13-15-18)19-10-7-8-11-20(19)21;8-4-1-3(7(11)12)2-5(9)6(4)10/h7-8,10-15,21H,2-6,9,16H2,1H3;1-2,8-10H,(H,11,12)/q+1;/p-1