[(E)-5-iodanyloct-4-en-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-5-iodanyloct-4-en-4-yl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-iodo-1-propyl-pent-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-5-iodooct-4-en-4-yl] ester IUPAC Name: [(E)-5-iodooct-4-en-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-iodo-1-propyl-pent-1-enyl] ester Formula: C15H21IO3S MolecularWeight: 408.29491

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(CCC)I)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC/C(=C(/CCC)\I)/OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H21IO3S/c1-4-6-14(16)15(7-5-2)19-20(17,18)13-10-8-12(3)9-11-13/h8-11H,4-7H2,1-3H3/b15-14+