2-tert-butyl-3-iodanyl-benzenesulfonic acid

Systemtic Name: 2-tert-butyl-3-iodanyl-benzenesulfonic acid Openeye Name: 2-tert-butyl-3-iodo-benzenesulfonic acid CAS Name: 2-tert-butyl-3-iodobenzenesulfonic acid IUPAC Name: 2-tert-butyl-3-iodobenzenesulfonic acid Traditional Name: 2-tert-butyl-3-iodo-besylic acid Formula: C10H13IO3S MolecularWeight: 340.17789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC=C1I)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC=C1I)S(=O)(=O)O

InChI

InChI=1S/C10H13IO3S/c1-10(2,3)9-7(11)5-4-6-8(9)15(12,13)14/h4-6H,1-3H3,(H,12,13,14)