3-acetyloxy-3-methyl-5-(6-oxidanylidene-6-phenacyloxy-hexanoyl)oxy-pentanoic acid

Systemtic Name: 3-acetyloxy-3-methyl-5-(6-oxidanylidene-6-phenacyloxy-hexanoyl)oxy-pentanoic acid Openeye Name: 3-acetoxy-3-methyl-5-(6-oxo-6-phenacyloxy-hexanoyl)oxy-pentanoic acid CAS Name: 3-acetyloxy-5-(1,6-dioxo-6-phenacyloxyhexoxy)-3-methylpentanoic acid IUPAC Name: 3-acetyloxy-3-methyl-5-(6-oxo-6-phenacyloxyhexanoyl)oxypentanoic acid Traditional Name: 3-acetoxy-5-(6-keto-6-phenacyloxy-hexanoyl)oxy-3-methyl-valeric acid Formula: C22H28O9 MolecularWeight: 436.45232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(CCOC(=O)CCCCC(=O)OCC(=O)C1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CC(=O)OC(C)(CCOC(=O)CCCCC(=O)OCC(=O)C1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C22H28O9/c1-16(23)31-22(2,14-19(25)26)12-13-29-20(27)10-6-7-11-21(28)30-15-18(24)17-8-4-3-5-9-17/h3-5,8-9H,6-7,10-15H2,1-2H3,(H,25,26)