(E)-3-(5-bromanyl-2-but-3-ynoxy-phenyl)prop-2-enoate

Systemtic Name: (E)-3-(5-bromanyl-2-but-3-ynoxy-phenyl)prop-2-enoate Openeye Name: (E)-3-(5-bromo-2-but-3-ynoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-but-3-ynoxyphenyl)-2-propenoate IUPAC Name: (E)-3-(5-bromo-2-but-3-ynoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-but-3-ynoxy-phenyl)acrylate Formula: C13H10BrO3- MolecularWeight: 294.1207

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCOC1=C(C=C(C=C1)Br)C=CC(=O)[O-]

Isomeric SMILES

C#CCCOC1=C(C=C(C=C1)Br)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H11BrO3/c1-2-3-8-17-12-6-5-11(14)9-10(12)4-7-13(15)16/h1,4-7,9H,3,8H2,(H,15,16)/p-1/b7-4+