[(2S)-2-octanoyloxy-2-[(2R)-4-octanoyloxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]ethyl] octanoate

Systemtic Name: [(2S)-2-octanoyloxy-2-[(2R)-4-octanoyloxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]ethyl] octanoate Openeye Name: [(2S)-2-[(2R)-5-hydroxy-4-octanoyloxy-3-oxo-2-furyl]-2-octanoyloxy-ethyl] octanoate CAS Name: octanoic acid [(2S)-2-[(2R)-5-hydroxy-3-oxo-4-(1-oxooctoxy)-2-furanyl]-2-(1-oxooctoxy)ethyl] ester IUPAC Name: [(2S)-2-[(2R)-5-hydroxy-4-octanoyloxy-3-oxofuran-2-yl]-2-octanoyloxyethyl] octanoate Traditional Name: caprylic acid [(2S)-2-caprylyloxy-2-[(2R)-4-caprylyloxy-5-hydroxy-3-keto-2-furyl]ethyl] ester Formula: C30H50O9 MolecularWeight: 554.7126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OC(=O)CCCCCCC)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)OC(=O)CCCCCCC)OC(=O)CCCCCCC

InChI

InChI=1S/C30H50O9/c1-4-7-10-13-16-19-24(31)36-22-23(37-25(32)20-17-14-11-8-5-2)28-27(34)29(30(35)39-28)38-26(33)21-18-15-12-9-6-3/h23,28,35H,4-22H2,1-3H3/t23-,28+/m0/s1