1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-4,6-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

Systemtic Name: 1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-4,6-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Openeye Name: 1-(4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid CAS Name: 1-(4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl)-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid IUPAC Name: 1-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Traditional Name: 1-[3-(1-acetoxy-2-methyl-3-phenyl-propyl)but-3-enyl]-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Formula: C25H30O12 MolecularWeight: 522.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(C(=C)CCC23CC(C(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O)O)OC(=O)C

Isomeric SMILES

CC(CC1=CC=CC=C1)C(C(=C)CCC23CC(C(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O)O)OC(=O)C

InChI

InChI=1S/C25H30O12/c1-13(18(35-15(3)26)14(2)11-16-7-5-4-6-8-16)9-10-23-12-17(27)25(37-23,22(32)33)24(34,21(30)31)19(36-23)20(28)29/h4-8,14,17-19,27,34H,1,9-12H2,2-3H3,(H,28,29)(H,30,31)(H,32,33)