methyl (E)-4-[4-bromanyl-2-(2-methylidene-1-oxidanyl-3-oxidanylidene-butyl)phenoxy]but-2-enoate

Systemtic Name: methyl (E)-4-[4-bromanyl-2-(2-methylidene-1-oxidanyl-3-oxidanylidene-butyl)phenoxy]but-2-enoate Openeye Name: methyl (E)-4-[4-bromo-2-(1-hydroxy-2-methylene-3-oxo-butyl)phenoxy]but-2-enoate CAS Name: (E)-4-[4-bromo-2-(1-hydroxy-2-methylene-3-oxobutyl)phenoxy]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[4-bromo-2-(1-hydroxy-2-methylidene-3-oxobutyl)phenoxy]but-2-enoate Traditional Name: (E)-4-[2-(2-acetyl-1-hydroxy-allyl)-4-bromo-phenoxy]but-2-enoic acid methyl ester Formula: C16H17BrO5 MolecularWeight: 369.20718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrO5/c1-10(11(2)18)16(20)13-9-12(17)6-7-14(13)22-8-4-5-15(19)21-3/h4-7,9,16,20H,1,8H2,2-3H3/b5-4+