methyl 2-acetyloxy-3-(3-bromanylpropyl)-4-methyl-benzoate

Systemtic Name: methyl 2-acetyloxy-3-(3-bromanylpropyl)-4-methyl-benzoate Openeye Name: methyl 2-acetoxy-3-(3-bromopropyl)-4-methyl-benzoate CAS Name: 2-acetyloxy-3-(3-bromopropyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 2-acetyloxy-3-(3-bromopropyl)-4-methylbenzoate Traditional Name: 2-acetoxy-3-(3-bromopropyl)-4-methyl-benzoic acid methyl ester Formula: C14H17BrO4 MolecularWeight: 329.18638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)OC)OC(=O)C)CCCBr

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)OC)OC(=O)C)CCCBr

InChI

InChI=1S/C14H17BrO4/c1-9-6-7-12(14(17)18-3)13(19-10(2)16)11(9)5-4-8-15/h6-7H,4-5,8H2,1-3H3