methyl 4-[2-bromanyl-6-ethoxy-4-(hydroxymethyl)phenoxy]butanoate

Systemtic Name: methyl 4-[2-bromanyl-6-ethoxy-4-(hydroxymethyl)phenoxy]butanoate Openeye Name: methyl 4-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]butanoate CAS Name: 4-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]butanoate Traditional Name: 4-(2-bromo-6-ethoxy-4-methylol-phenoxy)butyric acid methyl ester Formula: C14H19BrO5 MolecularWeight: 347.20166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CO)Br)OCCCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CO)Br)OCCCC(=O)OC

InChI

InChI=1S/C14H19BrO5/c1-3-19-12-8-10(9-16)7-11(15)14(12)20-6-4-5-13(17)18-2/h7-8,16H,3-6,9H2,1-2H3