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

Systemtic Name: 3-(2-bromanyl-6-tert-butyl-4-methyl-phenoxy)propanoate Openeye Name: 3-(2-bromo-6-tert-butyl-4-methyl-phenoxy)propanoate CAS Name: 3-(2-bromo-6-tert-butyl-4-methylphenoxy)propanoate IUPAC Name: 3-(2-bromo-6-tert-butyl-4-methylphenoxy)propanoate Traditional Name: 3-(2-bromo-6-tert-butyl-4-methyl-phenoxy)propionate Formula: C14H18BrO3- MolecularWeight: 314.19492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCC(=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCC(=O)[O-])C(C)(C)C

InChI

InChI=1S/C14H19BrO3/c1-9-7-10(14(2,3)4)13(11(15)8-9)18-6-5-12(16)17/h7-8H,5-6H2,1-4H3,(H,16,17)/p-1