4-[2,2-dimethyl-3-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-propoxy]carbonylphthalic acid

Systemtic Name: 4-[2,2-dimethyl-3-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-propoxy]carbonylphthalic acid Openeye Name: 4-[3-(6-hydroxy-6-oxo-hexanoyl)oxy-2,2-dimethyl-propoxy]carbonylphthalic acid CAS Name: 4-[[3-(6-hydroxy-1,6-dioxohexoxy)-2,2-dimethylpropoxy]-oxomethyl]phthalic acid IUPAC Name: 4-[3-(6-hydroxy-6-oxohexanoyl)oxy-2,2-dimethylpropoxy]carbonylphthalic acid Traditional Name: 4-[3-(6-hydroxy-6-keto-hexanoyl)oxy-2,2-dimethyl-propoxy]carbonylphthalic acid Formula: C20H24O10 MolecularWeight: 424.39856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O10/c1-20(2,10-29-16(23)6-4-3-5-15(21)22)11-30-19(28)12-7-8-13(17(24)25)14(9-12)18(26)27/h7-9H,3-6,10-11H2,1-2H3,(H,21,22)(H,24,25)(H,26,27)