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

Systemtic Name: S-[(2R,3S,4S)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl] 5-iodanyl-2,3-dimethoxy-6-methyl-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-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,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-benzenecarbothioate CAS Name: 5-iodo-2,3-dimethoxy-6-methyl-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-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,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzenecarbothioate Traditional Name: 5-iodo-2,3-dimethoxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-thiobenzoic acid S-[(2R,3S,4S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C22H31IO11S MolecularWeight: 630.44441

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=C(C(=C(C(=C2OC)OC)C(=O)SC3C(OC(CC3O)O)C)C)I)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C(=C(C(=C2OC)OC)C(=O)S[C@@H]3[C@H](OC(C[C@@H]3O)O)C)C)I)O)O)O

InChI

InChI=1S/C22H31IO11S/c1-7-12(21(29)35-20-9(3)32-11(25)6-10(20)24)17(30-4)19(31-5)18(13(7)23)34-22-16(28)15(27)14(26)8(2)33-22/h8-11,14-16,20,22,24-28H,6H2,1-5H3/t8-,9+,10-,11?,14-,15+,16+,20+,22-/m0/s1