methyl 3-bromanyl-4-(3-methoxy-3-oxidanylidene-propyl)benzoate

Systemtic Name: methyl 3-bromanyl-4-(3-methoxy-3-oxidanylidene-propyl)benzoate Openeye Name: methyl 3-bromo-4-(3-methoxy-3-oxo-propyl)benzoate CAS Name: 3-bromo-4-(3-methoxy-3-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-(3-methoxy-3-oxopropyl)benzoate Traditional Name: 3-bromo-4-(3-keto-3-methoxy-propyl)benzoic acid methyl ester Formula: C12H13BrO4 MolecularWeight: 301.13322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C=C1)C(=O)OC)Br

Isomeric SMILES

COC(=O)CCC1=C(C=C(C=C1)C(=O)OC)Br

InChI

InChI=1S/C12H13BrO4/c1-16-11(14)6-5-8-3-4-9(7-10(8)13)12(15)17-2/h3-4,7H,5-6H2,1-2H3