(E)-3-[5-bromanyl-2-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-2-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[(1S)-2-ethoxy-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[(1S)-2-ethoxy-2-keto-1-methyl-ethoxy]phenyl]acrylic acid Formula: C14H15BrO5 MolecularWeight: 343.1699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=C(C=C(C=C1)Br)C=CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=C(C=C(C=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C14H15BrO5/c1-3-19-14(18)9(2)20-12-6-5-11(15)8-10(12)4-7-13(16)17/h4-9H,3H2,1-2H3,(H,16,17)/b7-4+/t9-/m0/s1