[(2S,3R)-3-iodanyl-2-oxidanyl-decyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-iodanyl-2-oxidanyl-decyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-2-hydroxy-3-iodo-decyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-iododecyl] ester IUPAC Name: [(2S,3R)-2-hydroxy-3-iododecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-iodo-decyl] ester Formula: C17H27IO4S MolecularWeight: 454.36335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)I

Isomeric SMILES

CCCCCCC[C@H]([C@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)I

InChI

InChI=1S/C17H27IO4S/c1-3-4-5-6-7-8-16(18)17(19)13-22-23(20,21)15-11-9-14(2)10-12-15/h9-12,16-17,19H,3-8,13H2,1-2H3/t16-,17+/m1/s1