(6-iodanyl-1-oxidanyl-cyclohexa-2,4-dien-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-iodanyl-1-oxidanyl-cyclohexa-2,4-dien-1-yl) 4-methylbenzenesulfonate Openeye Name: (1-hydroxy-6-iodo-cyclohexa-2,4-dien-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-hydroxy-6-iodo-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (1-hydroxy-6-iodocyclohexa-2,4-dien-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-hydroxy-6-iodo-cyclohexa-2,4-dien-1-yl) ester Formula: C13H13IO4S MolecularWeight: 392.20939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(C=CC=CC2I)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(C=CC=CC2I)O

InChI

InChI=1S/C13H13IO4S/c1-10-5-7-11(8-6-10)19(16,17)18-13(15)9-3-2-4-12(13)14/h2-9,12,15H,1H3