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

Systemtic Name: 3-methyl-3-oxidanyl-5-(6-oxidanylidene-6-phenacyloxy-hexanoyl)oxy-pentanoic acid Openeye Name: 3-hydroxy-3-methyl-5-(6-oxo-6-phenacyloxy-hexanoyl)oxy-pentanoic acid CAS Name: 5-(1,6-dioxo-6-phenacyloxyhexoxy)-3-hydroxy-3-methylpentanoic acid IUPAC Name: 3-hydroxy-3-methyl-5-(6-oxo-6-phenacyloxyhexanoyl)oxypentanoic acid Traditional Name: 3-hydroxy-5-(6-keto-6-phenacyloxy-hexanoyl)oxy-3-methyl-valeric acid Formula: C20H26O8 MolecularWeight: 394.41564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O8/c1-20(26,13-17(22)23)11-12-27-18(24)9-5-6-10-19(25)28-14-16(21)15-7-3-2-4-8-15/h2-4,7-8,26H,5-6,9-14H2,1H3,(H,22,23)