3-(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)propanoate

Systemtic Name: 3-(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)propanoate Openeye Name: 3-(2-bromo-6-tert-butyl-4-ethyl-phenoxy)propanoate CAS Name: 3-(2-bromo-6-tert-butyl-4-ethylphenoxy)propanoate IUPAC Name: 3-(2-bromo-6-tert-butyl-4-ethylphenoxy)propanoate Traditional Name: 3-(2-bromo-6-tert-butyl-4-ethyl-phenoxy)propionate Formula: C15H20BrO3- MolecularWeight: 328.2215

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OCCC(=O)[O-])C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OCCC(=O)[O-])C(C)(C)C

InChI

InChI=1S/C15H21BrO3/c1-5-10-8-11(15(2,3)4)14(12(16)9-10)19-7-6-13(17)18/h8-9H,5-7H2,1-4H3,(H,17,18)/p-1