[4-(2-iodanylcyclohexen-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-iodanylcyclohexen-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-iodocyclohexen-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-iodo-1-cyclohexenyl)sulfonyl]phenyl] ester IUPAC Name: [4-(2-iodocyclohexen-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-iodocyclohexen-1-yl)sulfonylphenyl] ester Formula: C19H19IO5S2 MolecularWeight: 518.38563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C(CCCC3)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C(CCCC3)I

InChI

InChI=1S/C19H19IO5S2/c1-14-6-10-17(11-7-14)27(23,24)25-15-8-12-16(13-9-15)26(21,22)19-5-3-2-4-18(19)20/h6-13H,2-5H2,1H3