5-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]furan-2-carboxylate Openeye Name: 5-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]-2-furoate Formula: C20H25O4- MolecularWeight: 329.4101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C20H26O4/c1-19(2,3)13-20(4,5)14-6-8-15(9-7-14)23-12-16-10-11-17(24-16)18(21)22/h6-11H,12-13H2,1-5H3,(H,21,22)/p-1