5-ethanoyl-7-methyl-3,4-bis(2-methylpropanoyl)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-octanoate

Systemtic Name: 5-ethanoyl-7-methyl-3,4-bis(2-methylpropanoyl)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-octanoate Openeye Name: 5-acetyl-2,3,4,5-tetrahydroxy-7-methyl-3,4-bis(2-methylpropanoyl)-6-oxo-octanoate CAS Name: 5-acetyl-2,3,4,5-tetrahydroxy-7-methyl-3,4-bis(2-methyl-1-oxopropyl)-6-oxooctanoate IUPAC Name: 5-acetyl-2,3,4,5-tetrahydroxy-7-methyl-3,4-bis(2-methylpropanoyl)-6-oxooctanoate Traditional Name: 5-acetyl-2,3,4,5-tetrahydroxy-3,4-diisobutyryl-6-keto-7-methyl-caprylate Formula: C19H29O10- MolecularWeight: 417.42756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C(C(=O)[O-])O)(C(C(=O)C(C)C)(C(C(=O)C)(C(=O)C(C)C)O)O)O

Isomeric SMILES

CC(C)C(=O)C(C(C(=O)[O-])O)(C(C(=O)C(C)C)(C(C(=O)C)(C(=O)C(C)C)O)O)O

InChI

InChI=1S/C19H30O10/c1-8(2)12(21)17(27,11(7)20)19(29,14(23)10(5)6)18(28,13(22)9(3)4)15(24)16(25)26/h8-10,15,24,27-29H,1-7H3,(H,25,26)/p-1