(2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[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-[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-[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-[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-[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-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]tetrahydropyran-2-carboxylic acid Formula: C21H21Cl3O8 MolecularWeight: 507.74564

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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)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)C(Cl)(Cl)Cl

InChI

InChI=1S/C21H21Cl3O8/c1-30-12-6-2-10(3-7-12)14(21(22,23)24)11-4-8-13(9-5-11)31-20-17(27)15(25)16(26)18(32-20)19(28)29/h2-9,14-18,20,25-27H,1H3,(H,28,29)/t14?,15-,16-,17+,18-,20+/m0/s1