5-[(1S)-1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]furan-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)[O-])OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C21H28O4/c1-14(17-11-12-18(25-17)19(22)23)24-16-9-7-15(8-10-16)21(5,6)13-20(2,3)4/h7-12,14H,13H2,1-6H3,(H,22,23)/p-1/t14-/m0/s1