(4,5,7-triacetyloxy-3-methanoyl-6-oxidanyl-2-oxidanylidene-heptan-3-yl) octanoate

Systemtic Name: (4,5,7-triacetyloxy-3-methanoyl-6-oxidanyl-2-oxidanylidene-heptan-3-yl) octanoate Openeye Name: (2,3,5-triacetoxy-1-acetyl-1-formyl-4-hydroxy-pentyl) octanoate CAS Name: octanoic acid (4,5,7-triacetyloxy-3-formyl-6-hydroxy-2-oxoheptan-3-yl) ester IUPAC Name: (4,5,7-triacetyloxy-3-formyl-6-hydroxy-2-oxoheptan-3-yl) octanoate Traditional Name: caprylic acid (2,3,5-triacetoxy-1-acetyl-1-formyl-4-hydroxy-pentyl) ester Formula: C22H34O11 MolecularWeight: 474.49876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C=O)(C(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C)C(=O)C

Isomeric SMILES

CCCCCCCC(=O)OC(C=O)(C(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C)C(=O)C

InChI

InChI=1S/C22H34O11/c1-6-7-8-9-10-11-19(29)33-22(13-23,14(2)24)21(32-17(5)27)20(31-16(4)26)18(28)12-30-15(3)25/h13,18,20-21,28H,6-12H2,1-5H3