S-[(2R,3S,4S)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl] 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-iodanyl-2,3-dimethoxy-6-methyl-benzenecarbothioate

Systemtic Name: S-[(2R,3S,4S)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl] 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-iodanyl-2,3-dimethoxy-6-methyl-benzenecarbothioate Openeye Name: S-[(2R,3S,4S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl] 5-iodo-2,3-dimethoxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzenecarbothioate CAS Name: 5-iodo-2,3-dimethoxy-6-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzenecarbothioic acid S-[(2R,3S,4S)-4,6-dihydroxy-2-methyl-3-oxanyl] ester IUPAC Name: S-[(2R,3S,4S)-4,6-dihydroxy-2-methyloxan-3-yl] 5-iodo-2,3-dimethoxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzenecarbothioate Traditional Name: 5-iodo-2,3-dimethoxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-thiobenzoic acid S-[(2R,3S,4S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C22H31IO12S MolecularWeight: 646.44381

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)O)O)SC(=O)C2=C(C(=C(C(=C2OC)OC)OC3C(C(C(C(O3)CO)O)O)O)I)C

Isomeric SMILES

C[C@@H]1[C@H]([C@H](CC(O1)O)O)SC(=O)C2=C(C(=C(C(=C2OC)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)I)C

InChI

InChI=1S/C22H31IO12S/c1-7-12(21(30)36-20-8(2)33-11(26)5-9(20)25)17(31-3)19(32-4)18(13(7)23)35-22-16(29)15(28)14(27)10(6-24)34-22/h8-11,14-16,20,22,24-29H,5-6H2,1-4H3/t8-,9+,10-,11?,14-,15+,16-,20-,22+/m1/s1