[(2R,3S,4R)-2,3-bis(oxidanyl)-4-phenylmethoxy-oxolan-2-yl]methyl 3-oxidanylideneoctanoate

Systemtic Name: [(2R,3S,4R)-2,3-bis(oxidanyl)-4-phenylmethoxy-oxolan-2-yl]methyl 3-oxidanylideneoctanoate Openeye Name: [(2R,3S,4R)-4-benzyloxy-2,3-dihydroxy-tetrahydrofuran-2-yl]methyl 3-oxooctanoate CAS Name: 3-oxooctanoic acid [(2R,3S,4R)-2,3-dihydroxy-4-phenylmethoxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R)-2,3-dihydroxy-4-phenylmethoxyoxolan-2-yl]methyl 3-oxooctanoate Traditional Name: 3-ketocaprylic acid [(2R,3S,4R)-4-benzoxy-2,3-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C20H28O7 MolecularWeight: 380.43212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC(=O)OCC1(C(C(CO1)OCC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(=O)CC(=O)OC[C@@]1([C@H]([C@@H](CO1)OCC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H28O7/c1-2-3-5-10-16(21)11-18(22)26-14-20(24)19(23)17(13-27-20)25-12-15-8-6-4-7-9-15/h4,6-9,17,19,23-24H,2-3,5,10-14H2,1H3/t17-,19+,20-/m1/s1