5-acetyloxy-5-ethanoyl-2,3,4-tris(oxidanyl)-6,7-bis(oxidanylidene)octanoic acid

Systemtic Name: 5-acetyloxy-5-ethanoyl-2,3,4-tris(oxidanyl)-6,7-bis(oxidanylidene)octanoic acid Openeye Name: 5-acetoxy-5-acetyl-2,3,4-trihydroxy-6,7-dioxo-octanoic acid CAS Name: 5-acetyl-5-acetyloxy-2,3,4-trihydroxy-6,7-dioxooctanoic acid IUPAC Name: 5-acetyl-5-acetyloxy-2,3,4-trihydroxy-6,7-dioxooctanoic acid Traditional Name: 5-acetoxy-5-acetyl-2,3,4-trihydroxy-6,7-diketo-caprylic acid Formula: C12H16O10 MolecularWeight: 320.24944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)C(C(C(C(C(=O)O)O)O)O)(C(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)C(=O)C(C(C(C(C(=O)O)O)O)O)(C(=O)C)OC(=O)C

InChI

InChI=1S/C12H16O10/c1-4(13)9(18)12(5(2)14,22-6(3)15)10(19)7(16)8(17)11(20)21/h7-8,10,16-17,19H,1-3H3,(H,20,21)