4-(2,2-dimethylbutanoyloxy)-2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonyl]benzoic acid

Systemtic Name: 4-(2,2-dimethylbutanoyloxy)-2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonyl]benzoic acid Openeye Name: 4-(2,2-dimethylbutanoyloxy)-2-[2-(isopropenyloxymethoxy)ethoxycarbonyl]benzoic acid CAS Name: 4-(2,2-dimethyl-1-oxobutoxy)-2-[2-(1-methylethenoxymethoxy)ethoxy-oxomethyl]benzoic acid IUPAC Name: 4-(2,2-dimethylbutanoyloxy)-2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonyl]benzoic acid Traditional Name: 4-(2,2-dimethylbutanoyloxy)-2-[2-(isopropenyloxymethoxy)ethoxycarbonyl]benzoic acid Formula: C20H26O8 MolecularWeight: 394.41564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1=CC(=C(C=C1)C(=O)O)C(=O)OCCOCOC(=C)C

Isomeric SMILES

CCC(C)(C)C(=O)OC1=CC(=C(C=C1)C(=O)O)C(=O)OCCOCOC(=C)C

InChI

InChI=1S/C20H26O8/c1-6-20(4,5)19(24)28-14-7-8-15(17(21)22)16(11-14)18(23)26-10-9-25-12-27-13(2)3/h7-8,11H,2,6,9-10,12H2,1,3-5H3,(H,21,22)