5-[(1S)-1-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)ethyl]furan-2-carboxylate

Systemtic Name: 5-[(1S)-1-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-(4-bromo-2-tert-butyl-5-methyl-phenoxy)ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-(4-bromo-2-tert-butyl-5-methylphenoxy)ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-(4-bromo-2-tert-butyl-5-methylphenoxy)ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-(4-bromo-2-tert-butyl-5-methyl-phenoxy)ethyl]-2-furoate Formula: C18H20BrO4- MolecularWeight: 380.253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)(C)C)OC(C)C2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)(C)C)O[C@@H](C)C2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C18H21BrO4/c1-10-8-16(12(9-13(10)19)18(3,4)5)22-11(2)14-6-7-15(23-14)17(20)21/h6-9,11H,1-5H3,(H,20,21)/p-1/t11-/m0/s1