ethyl (4R,5S,6S,7R)-4,5,6,7,8-pentaacetyloxy-2-cyano-3-oxidanylidene-octanoate

Systemtic Name: ethyl (4R,5S,6S,7R)-4,5,6,7,8-pentaacetyloxy-2-cyano-3-oxidanylidene-octanoate Openeye Name: ethyl (4R,5S,6S,7R)-4,5,6,7,8-pentaacetoxy-2-cyano-3-oxo-octanoate CAS Name: (4R,5S,6S,7R)-4,5,6,7,8-pentaacetyloxy-2-cyano-3-oxooctanoic acid ethyl ester IUPAC Name: ethyl (4R,5S,6S,7R)-4,5,6,7,8-pentaacetyloxy-2-cyano-3-oxooctanoate Traditional Name: (4R,5S,6S,7R)-4,5,6,7,8-pentaacetoxy-2-cyano-3-keto-caprylic acid ethyl ester Formula: C21H27NO13 MolecularWeight: 501.43798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C(C#N)C(=O)[C@@H]([C@H]([C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H27NO13/c1-7-30-21(29)15(8-22)17(28)19(34-13(5)26)20(35-14(6)27)18(33-12(4)25)16(32-11(3)24)9-31-10(2)23/h15-16,18-20H,7,9H2,1-6H3/t15?,16-,18+,19+,20+/m1/s1