methyl 3-bromanyl-5-(2-methylprop-2-enyl)-4-oxidanyl-benzoate

Systemtic Name: methyl 3-bromanyl-5-(2-methylprop-2-enyl)-4-oxidanyl-benzoate Openeye Name: methyl 3-bromo-4-hydroxy-5-(2-methylallyl)benzoate CAS Name: 3-bromo-4-hydroxy-5-(2-methylprop-2-enyl)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-hydroxy-5-(2-methylprop-2-enyl)benzoate Traditional Name: 3-bromo-4-hydroxy-5-(2-methylallyl)benzoic acid methyl ester Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=C(C(=CC(=C1)C(=O)OC)Br)O

Isomeric SMILES

CC(=C)CC1=C(C(=CC(=C1)C(=O)OC)Br)O

InChI

InChI=1S/C12H13BrO3/c1-7(2)4-8-5-9(12(15)16-3)6-10(13)11(8)14/h5-6,14H,1,4H2,2-3H3