3-(4-iodophenyl)carbonyl-4,5-dimethoxy-benzenesulfonic acid

Systemtic Name: 3-(4-iodophenyl)carbonyl-4,5-dimethoxy-benzenesulfonic acid Openeye Name: 3-(4-iodobenzoyl)-4,5-dimethoxy-benzenesulfonic acid CAS Name: 3-[(4-iodophenyl)-oxomethyl]-4,5-dimethoxybenzenesulfonic acid IUPAC Name: 3-(4-iodobenzoyl)-4,5-dimethoxybenzenesulfonic acid Traditional Name: 3-(4-iodobenzoyl)-4,5-dimethoxy-besylic acid Formula: C15H13IO6S MolecularWeight: 448.22959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)O)C(=O)C2=CC=C(C=C2)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)O)C(=O)C2=CC=C(C=C2)I)OC

InChI

InChI=1S/C15H13IO6S/c1-21-13-8-11(23(18,19)20)7-12(15(13)22-2)14(17)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H,18,19,20)