4-[4,4-dimethyl-3a-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 4-[4,4-dimethyl-3a-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 4-(3a-hydroxy-4,4-dimethyl-1,3-dioxo-isoindol-2-yl)butanoic acid CAS Name: 4-(3a-hydroxy-4,4-dimethyl-1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: 4-(3a-hydroxy-4,4-dimethyl-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 4-(3a-hydroxy-1,3-diketo-4,4-dimethyl-isoindol-2-yl)butyric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=C2C1(C(=O)N(C2=O)CCCC(=O)O)O)C

Isomeric SMILES

CC1(C=CC=C2C1(C(=O)N(C2=O)CCCC(=O)O)O)C

InChI

InChI=1S/C14H17NO5/c1-13(2)7-3-5-9-11(18)15(8-4-6-10(16)17)12(19)14(9,13)20/h3,5,7,20H,4,6,8H2,1-2H3,(H,16,17)