bis(3-carboxy-4-methyl-phenyl)iodanium; hydrogen sulfate

Systemtic Name: bis(3-carboxy-4-methyl-phenyl)iodanium; hydrogen sulfate Openeye Name: bis(3-carboxy-4-methyl-phenyl)iodonium; hydrogen sulfate CAS Name: bis(3-carboxy-4-methylphenyl)iodonium; hydrogen sulfate IUPAC Name: bis(3-carboxy-4-methylphenyl)iodanium; hydrogen sulfate Traditional Name: bis(3-carboxy-4-methyl-phenyl)iodonium bisulfate Formula: C16H15IO8S MolecularWeight: 494.25497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C(=O)O)C(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C(=O)O)C(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H13IO4.H2O4S/c1-9-3-5-11(7-13(9)15(18)19)17-12-6-4-10(2)14(8-12)16(20)21;1-5(2,3)4/h3-8H,1-2H3,(H-,18,19,20,21);(H2,1,2,3,4)