[(4S,5S)-1-iodanyl-10-methyl-4-oxidanyl-undecan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4S,5S)-1-iodanyl-10-methyl-4-oxidanyl-undecan-5-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(1S)-1-hydroxy-4-iodo-butyl]-6-methyl-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S,5S)-4-hydroxy-1-iodo-10-methylundecan-5-yl] ester IUPAC Name: [(4S,5S)-4-hydroxy-1-iodo-10-methylundecan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(1S)-1-hydroxy-4-iodo-butyl]-6-methyl-heptyl] ester Formula: C19H31IO4S MolecularWeight: 482.41651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31IO4S/c1-15(2)7-4-5-9-19(18(21)8-6-14-20)24-25(22,23)17-12-10-16(3)11-13-17/h10-13,15,18-19,21H,4-9,14H2,1-3H3/t18-,19-/m0/s1