2-[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]isoindole-1,3-dione

Systemtic Name: 2-[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]isoindole-1,3-dione Openeye Name: 2-(2,4-dihydroxy-3,3-dimethyl-butanoyl)isoindoline-1,3-dione CAS Name: 2-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)isoindole-1,3-dione IUPAC Name: 2-(2,4-dihydroxy-3,3-dimethylbutanoyl)isoindole-1,3-dione Traditional Name: 2-(2,4-dihydroxy-3,3-dimethyl-butanoyl)isoindoline-1,3-quinone Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)N1C(=O)C2=CC=CC=C2C1=O)O

Isomeric SMILES

CC(C)(CO)C(C(=O)N1C(=O)C2=CC=CC=C2C1=O)O

InChI

InChI=1S/C14H15NO5/c1-14(2,7-16)10(17)13(20)15-11(18)8-5-3-4-6-9(8)12(15)19/h3-6,10,16-17H,7H2,1-2H3