4-(5-bromanyl-4-methanoyl-2-methoxy-phenoxy)butanoate

Systemtic Name: 4-(5-bromanyl-4-methanoyl-2-methoxy-phenoxy)butanoate Openeye Name: 4-(5-bromo-4-formyl-2-methoxy-phenoxy)butanoate CAS Name: 4-(5-bromo-4-formyl-2-methoxyphenoxy)butanoate IUPAC Name: 4-(5-bromo-4-formyl-2-methoxyphenoxy)butanoate Traditional Name: 4-(5-bromo-4-formyl-2-methoxy-phenoxy)butyrate Formula: C12H12BrO5- MolecularWeight: 316.12468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=O)Br)OCCCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C=O)Br)OCCCC(=O)[O-]

InChI

InChI=1S/C12H13BrO5/c1-17-10-5-8(7-14)9(13)6-11(10)18-4-2-3-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)/p-1