5,5-dibutyl-2-oxidanyl-4-oxidanylidene-nonane-1,2,3-tricarboxylic acid

Systemtic Name: 5,5-dibutyl-2-oxidanyl-4-oxidanylidene-nonane-1,2,3-tricarboxylic acid Openeye Name: 5,5-dibutyl-2-hydroxy-4-oxo-nonane-1,2,3-tricarboxylic acid CAS Name: 5,5-dibutyl-2-hydroxy-4-oxononane-1,2,3-tricarboxylic acid IUPAC Name: 5,5-dibutyl-2-hydroxy-4-oxononane-1,2,3-tricarboxylic acid Traditional Name: 5,5-dibutyl-2-hydroxy-4-keto-nonane-1,2,3-tricarboxylic acid Formula: C20H34O8 MolecularWeight: 402.47916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CCCC)C(=O)C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC(CCCC)(CCCC)C(=O)C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H34O8/c1-4-7-10-19(11-8-5-2,12-9-6-3)16(23)15(17(24)25)20(28,18(26)27)13-14(21)22/h15,28H,4-13H2,1-3H3,(H,21,22)(H,24,25)(H,26,27)