[(Z,2S)-5-iodanyl-4-methyl-2-oxidanyl-pent-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z,2S)-5-iodanyl-4-methyl-2-oxidanyl-pent-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z,2S)-2-hydroxy-5-iodo-4-methyl-pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z,2S)-2-hydroxy-5-iodo-4-methylpent-4-enyl] ester IUPAC Name: [(Z,2S)-2-hydroxy-5-iodo-4-methylpent-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z,2S)-2-hydroxy-5-iodo-4-methyl-pent-4-enyl] ester Formula: C13H17IO4S MolecularWeight: 396.24115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(=CI)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C/C(=C\I)/C)O

InChI

InChI=1S/C13H17IO4S/c1-10-3-5-13(6-4-10)19(16,17)18-9-12(15)7-11(2)8-14/h3-6,8,12,15H,7,9H2,1-2H3/b11-8-/t12-/m0/s1