[5-acetamido-3,4-bis(oxidanyl)-6-oxidanylidene-oxan-2-yl]methyl octanoate

Systemtic Name: [5-acetamido-3,4-bis(oxidanyl)-6-oxidanylidene-oxan-2-yl]methyl octanoate Openeye Name: (5-acetamido-3,4-dihydroxy-6-oxo-tetrahydropyran-2-yl)methyl octanoate CAS Name: octanoic acid (5-acetamido-3,4-dihydroxy-6-oxo-2-oxanyl)methyl ester IUPAC Name: (5-acetamido-3,4-dihydroxy-6-oxooxan-2-yl)methyl octanoate Traditional Name: caprylic acid (5-acetamido-3,4-dihydroxy-6-keto-tetrahydropyran-2-yl)methyl ester Formula: C16H27NO7 MolecularWeight: 345.38808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(C(C(C(=O)O1)NC(=O)C)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(C(C(C(=O)O1)NC(=O)C)O)O

InChI

InChI=1S/C16H27NO7/c1-3-4-5-6-7-8-12(19)23-9-11-14(20)15(21)13(16(22)24-11)17-10(2)18/h11,13-15,20-21H,3-9H2,1-2H3,(H,17,18)