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

Systemtic Name: 5-methyl-4-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]furan-2-carboxylate Openeye Name: 5-methyl-4-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]furan-2-carboxylate CAS Name: 5-methyl-4-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]furan-2-carboxylate Traditional Name: 5-methyl-4-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]-2-furoate Formula: C21H27O4- MolecularWeight: 343.43668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C21H28O4/c1-14-15(11-18(25-14)19(22)23)12-24-17-9-7-16(8-10-17)21(5,6)13-20(2,3)4/h7-11H,12-13H2,1-6H3,(H,22,23)/p-1