4-[2,2-dimethyl-3-(10-oxidanyl-10-oxidanylidene-decanoyl)oxy-propoxy]carbonyl-2,3-dimethyl-benzoic acid

Systemtic Name: 4-[2,2-dimethyl-3-(10-oxidanyl-10-oxidanylidene-decanoyl)oxy-propoxy]carbonyl-2,3-dimethyl-benzoic acid Openeye Name: 4-[3-(10-hydroxy-10-oxo-decanoyl)oxy-2,2-dimethyl-propoxy]carbonyl-2,3-dimethyl-benzoic acid CAS Name: 4-[[3-(10-hydroxy-1,10-dioxodecoxy)-2,2-dimethylpropoxy]-oxomethyl]-2,3-dimethylbenzoic acid IUPAC Name: 4-[3-(10-hydroxy-10-oxodecanoyl)oxy-2,2-dimethylpropoxy]carbonyl-2,3-dimethylbenzoic acid Traditional Name: 4-[3-(10-hydroxy-10-keto-decanoyl)oxy-2,2-dimethyl-propoxy]carbonyl-2,3-dimethyl-benzoic acid Formula: C25H36O8 MolecularWeight: 464.54854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)C(=O)OCC(C)(C)COC(=O)CCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)C(=O)OCC(C)(C)COC(=O)CCCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C25H36O8/c1-17-18(2)20(14-13-19(17)23(29)30)24(31)33-16-25(3,4)15-32-22(28)12-10-8-6-5-7-9-11-21(26)27/h13-14H,5-12,15-16H2,1-4H3,(H,26,27)(H,29,30)