O1-[[(2R,3S,4S,5R,6S)-6-butoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl] O8-[2,2,2-tris(chloranyl)ethyl] octanedioate

Systemtic Name: O1-[[(2R,3S,4S,5R,6S)-6-butoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl] O8-[2,2,2-tris(chloranyl)ethyl] octanedioate Openeye Name: O1-[[(2R,3S,4S,5R,6S)-6-butoxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl] O8-(2,2,2-trichloroethyl) octanedioate CAS Name: octanedioic acid O1-[[(2R,3S,4S,5R,6S)-6-butoxy-3,4,5-trihydroxy-2-oxanyl]methyl] ester O8-(2,2,2-trichloroethyl) ester IUPAC Name: 1-O-[[(2R,3S,4S,5R,6S)-6-butoxy-3,4,5-trihydroxyoxan-2-yl]methyl] 8-O-(2,2,2-trichloroethyl) octanedioate Traditional Name: suberic acid O1-[[(2R,3S,4S,5R,6S)-6-butoxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl] ester O8-(2,2,2-trichloroethyl) ester Formula: C20H33Cl3O9 MolecularWeight: 523.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(C(C(C(O1)COC(=O)CCCCCCC(=O)OCC(Cl)(Cl)Cl)O)O)O

Isomeric SMILES

CCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CCCCCCC(=O)OCC(Cl)(Cl)Cl)O)O)O

InChI

InChI=1S/C20H33Cl3O9/c1-2-3-10-29-19-18(28)17(27)16(26)13(32-19)11-30-14(24)8-6-4-5-7-9-15(25)31-12-20(21,22)23/h13,16-19,26-28H,2-12H2,1H3/t13-,16-,17+,18-,19+/m1/s1