4-(4-nonyl-3-oxidanylidene-furan-2-yl)-2-oxidanyl-butane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(4-nonyl-3-oxidanylidene-furan-2-yl)-2-oxidanyl-butane-1,2,3-tricarboxylic acid Openeye Name: 2-hydroxy-4-(4-nonyl-3-oxo-2-furyl)butane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-4-(4-nonyl-3-oxo-2-furanyl)butane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxy-4-(4-nonyl-3-oxofuran-2-yl)butane-1,2,3-tricarboxylic acid Traditional Name: 2-hydroxy-4-(3-keto-4-nonyl-2-furyl)butane-1,2,3-tricarboxylic acid Formula: C20H30O9 MolecularWeight: 414.4468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=COC(C1=O)CC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCC1=COC(C1=O)CC(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H30O9/c1-2-3-4-5-6-7-8-9-13-12-29-15(17(13)23)10-14(18(24)25)20(28,19(26)27)11-16(21)22/h12,14-15,28H,2-11H2,1H3,(H,21,22)(H,24,25)(H,26,27)