[(4R,5S)-4-[(E)-2-cyanoethenyl]-7-iodanyl-4,5-dimethyl-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [(4R,5S)-4-[(E)-2-cyanoethenyl]-7-iodanyl-4,5-dimethyl-heptyl] 4-methylbenzenesulfonate Openeye Name: [(4R,5S)-4-[(E)-2-cyanovinyl]-7-iodo-4,5-dimethyl-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R,5S)-4-[(E)-2-cyanoethenyl]-7-iodo-4,5-dimethylheptyl] ester IUPAC Name: [(4R,5S)-4-[(E)-2-cyanoethenyl]-7-iodo-4,5-dimethylheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,4R)-6-cyano-4-[(1S)-3-iodo-1-methyl-propyl]-4-methyl-hex-5-enyl] ester Formula: C19H26INO3S MolecularWeight: 475.38411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)(C=CC#N)C(C)CCI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@@](C)(/C=C/C#N)[C@@H](C)CCI

InChI

InChI=1S/C19H26INO3S/c1-16-6-8-18(9-7-16)25(22,23)24-15-5-12-19(3,11-4-14-21)17(2)10-13-20/h4,6-9,11,17H,5,10,12-13,15H2,1-3H3/b11-4+/t17-,19+/m0/s1