(E)-3-(3-bromanyl-4-but-3-ynoxy-5-methoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-bromanyl-4-but-3-ynoxy-5-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-bromo-4-but-3-ynoxy-5-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-bromo-4-but-3-ynoxy-5-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(3-bromo-4-but-3-ynoxy-5-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-bromo-4-but-3-ynoxy-5-methoxy-phenyl)acrylic acid Formula: C14H13BrO4 MolecularWeight: 325.15462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCCC#C

InChI

InChI=1S/C14H13BrO4/c1-3-4-7-19-14-11(15)8-10(5-6-13(16)17)9-12(14)18-2/h1,5-6,8-9H,4,7H2,2H3,(H,16,17)/b6-5+