4-(4-methyl-4-oxidanyl-pentan-2-yl)-3H-2-benzofuran-1-one

Systemtic Name: 4-(4-methyl-4-oxidanyl-pentan-2-yl)-3H-2-benzofuran-1-one Openeye Name: 4-(3-hydroxy-1,3-dimethyl-butyl)-3H-isobenzofuran-1-one CAS Name: 4-(4-hydroxy-4-methylpentan-2-yl)-3H-isobenzofuran-1-one IUPAC Name: 4-(4-hydroxy-4-methylpentan-2-yl)-3H-2-benzofuran-1-one Traditional Name: 4-(3-hydroxy-1,3-dimethyl-butyl)phthalide Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)O)C1=CC=CC2=C1COC2=O

Isomeric SMILES

CC(CC(C)(C)O)C1=CC=CC2=C1COC2=O

InChI

InChI=1S/C14H18O3/c1-9(7-14(2,3)16)10-5-4-6-11-12(10)8-17-13(11)15/h4-6,9,16H,7-8H2,1-3H3