(6-iodanyl-3-methyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-iodanyl-3-methyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Openeye Name: (6-iodo-3-methyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-iodo-3-methyl-7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (6-iodo-3-methyl-7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-iodo-7-keto-3-methyl-cyclohepta-1,3,5-trien-1-yl) ester Formula: C15H13IO4S MolecularWeight: 416.23079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC=C(C2=O)I)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC=C(C2=O)I)C

InChI

InChI=1S/C15H13IO4S/c1-10-3-6-12(7-4-10)21(18,19)20-14-9-11(2)5-8-13(16)15(14)17/h3-9H,1-2H3