[(4S,5S)-1-iodanyl-10-methyl-5-(4-methylphenyl)sulfonyloxy-undecan-4-yl] ethanoate

Systemtic Name: [(4S,5S)-1-iodanyl-10-methyl-5-(4-methylphenyl)sulfonyloxy-undecan-4-yl] ethanoate Openeye Name: [(1S,2S)-1-(3-iodopropyl)-7-methyl-2-(p-tolylsulfonyloxy)octyl] acetate CAS Name: acetic acid [(4S,5S)-1-iodo-10-methyl-5-(4-methylphenyl)sulfonyloxyundecan-4-yl] ester IUPAC Name: [(4S,5S)-1-iodo-10-methyl-5-(4-methylphenyl)sulfonyloxyundecan-4-yl] acetate Traditional Name: acetic acid [(1S,2S)-1-(3-iodopropyl)-7-methyl-2-tosyloxy-octyl] ester Formula: C21H33IO5S MolecularWeight: 524.45319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC(C)C)C(CCCI)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CCCCC(C)C)[C@H](CCCI)OC(=O)C

InChI

InChI=1S/C21H33IO5S/c1-16(2)8-5-6-9-21(20(10-7-15-22)26-18(4)23)27-28(24,25)19-13-11-17(3)12-14-19/h11-14,16,20-21H,5-10,15H2,1-4H3/t20-,21-/m0/s1