5-tert-butyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-tert-butyl-4-hydroxy-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-tert-butyl-4-hydroxy-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-tert-butyl-4-hydroxy-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-tert-butyl-4-hydroxy-3-methyl-coumarilic acid Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C=C2)C(C)(C)C)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C=C2)C(C)(C)C)O)C(=O)O

InChI

InChI=1S/C14H16O4/c1-7-10-9(18-12(7)13(16)17)6-5-8(11(10)15)14(2,3)4/h5-6,15H,1-4H3,(H,16,17)