2,4-bis[(2,2-dimethyl-3-oxidanyl-propoxy)carbonyl]-5-(dioxidanylmethyl)benzoic acid

Systemtic Name: 2,4-bis[(2,2-dimethyl-3-oxidanyl-propoxy)carbonyl]-5-(dioxidanylmethyl)benzoic acid Openeye Name: 5-(hydroperoxymethyl)-2,4-bis[(3-hydroxy-2,2-dimethyl-propoxy)carbonyl]benzoic acid CAS Name: 5-(hydroperoxymethyl)-2,4-bis[(3-hydroxy-2,2-dimethylpropoxy)-oxomethyl]benzoic acid IUPAC Name: 5-(hydroperoxymethyl)-2,4-bis[(3-hydroxy-2,2-dimethylpropoxy)carbonyl]benzoic acid Traditional Name: 5-(hydroperoxymethyl)-2,4-bis[(3-hydroxy-2,2-dimethyl-propoxy)carbonyl]benzoic acid Formula: C20H28O10 MolecularWeight: 428.43032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC(=O)C1=CC(=C(C=C1C(=O)O)COO)C(=O)OCC(C)(C)CO

Isomeric SMILES

CC(C)(CO)COC(=O)C1=CC(=C(C=C1C(=O)O)COO)C(=O)OCC(C)(C)CO

InChI

InChI=1S/C20H28O10/c1-19(2,8-21)10-28-17(25)13-6-15(18(26)29-11-20(3,4)9-22)14(16(23)24)5-12(13)7-30-27/h5-6,21-22,27H,7-11H2,1-4H3,(H,23,24)