2-[3-methyl-3-oxidanyl-2-oxidanylidene-7-(2,4,4-trimethylpentan-2-yl)-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-3-oxidanyl-2-oxidanylidene-7-(2,4,4-trimethylpentan-2-yl)-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[3-hydroxy-3-methyl-2-oxo-7-(1,1,3,3-tetramethylbutyl)benzofuran-5-yl]acetic acid CAS Name: 2-[3-hydroxy-3-methyl-2-oxo-7-(2,4,4-trimethylpentan-2-yl)-5-benzofuranyl]acetic acid IUPAC Name: 2-[3-hydroxy-3-methyl-2-oxo-7-(2,4,4-trimethylpentan-2-yl)-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[3-hydroxy-2-keto-3-methyl-7-(1,1,3,3-tetramethylbutyl)coumaran-5-yl]acetic acid Formula: C19H26O5 MolecularWeight: 334.40674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2OC1=O)C(C)(C)CC(C)(C)C)CC(=O)O)O

Isomeric SMILES

CC1(C2=CC(=CC(=C2OC1=O)C(C)(C)CC(C)(C)C)CC(=O)O)O

InChI

InChI=1S/C19H26O5/c1-17(2,3)10-18(4,5)12-7-11(9-14(20)21)8-13-15(12)24-16(22)19(13,6)23/h7-8,23H,9-10H2,1-6H3,(H,20,21)