3-[(2S,3R,4R,5S,6S)-6-(iodanylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(2S,3R,4R,5S,6S)-6-(iodanylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(iodomethyl)tetrahydropyran-2-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(iodomethyl)-2-oxanyl]propyl ester IUPAC Name: 3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(iodomethyl)oxan-2-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(iodomethyl)tetrahydropyran-2-yl]propyl ester Formula: C16H23IO7S MolecularWeight: 486.31909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2C(C(C(C(O2)CI)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CI)O)O)O

InChI

InChI=1S/C16H23IO7S/c1-10-4-6-11(7-5-10)25(21,22)23-8-2-3-12-14(18)16(20)15(19)13(9-17)24-12/h4-7,12-16,18-20H,2-3,8-9H2,1H3/t12-,13+,14-,15+,16+/m0/s1