(2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[2-oxidanyl-4-[2,2,2-tris(chloranyl)-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[2-oxidanyl-4-[2,2,2-tris(chloranyl)-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]tetrahydropyran-2-carboxylic acid Formula: C21H21Cl3O9 MolecularWeight: 523.74504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)C(Cl)(Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C(Cl)(Cl)Cl

InChI

InChI=1S/C21H21Cl3O9/c1-31-11-5-2-9(3-6-11)14(21(22,23)24)10-4-7-13(12(25)8-10)32-20-17(28)15(26)16(27)18(33-20)19(29)30/h2-8,14-18,20,25-28H,1H3,(H,29,30)/t14?,15-,16-,17+,18-,20+/m0/s1