2-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-5-oxidanyl-1,3-dioxane-4,5,6-tricarboxylic acid

Systemtic Name: 2-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-5-oxidanyl-1,3-dioxane-4,5,6-tricarboxylic acid Openeye Name: 2-(4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid CAS Name: 2-(4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid IUPAC Name: 2-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid Traditional Name: 2-[3-(1-acetoxy-2-methyl-3-phenyl-propyl)but-3-enyl]-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid Formula: C23H28O11 MolecularWeight: 480.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(C(=C)CCC2OC(C(C(O2)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)C

Isomeric SMILES

CC(CC1=CC=CC=C1)C(C(=C)CCC2OC(C(C(O2)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)C

InChI

InChI=1S/C23H28O11/c1-12(17(32-14(3)24)13(2)11-15-7-5-4-6-8-15)9-10-16-33-18(20(25)26)23(31,22(29)30)19(34-16)21(27)28/h4-8,13,16-19,31H,1,9-11H2,2-3H3,(H,25,26)(H,27,28)(H,29,30)