(E)-3-[3-bromanyl-5-methoxy-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-5-methoxy-4-(2-methoxy-2-oxo-ethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(2-keto-2-methoxy-ethoxy)-5-methoxy-phenyl]acrylic acid Formula: C13H13BrO6 MolecularWeight: 345.14272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCC(=O)OC

InChI

InChI=1S/C13H13BrO6/c1-18-10-6-8(3-4-11(15)16)5-9(14)13(10)20-7-12(17)19-2/h3-6H,7H2,1-2H3,(H,15,16)/b4-3+