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

Systemtic Name: (E)-3-[3-bromanyl-5-ethoxy-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-5-ethoxy-4-(2-methoxy-2-oxo-ethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-5-ethoxy-4-(2-keto-2-methoxy-ethoxy)phenyl]acrylic acid Formula: C14H15BrO6 MolecularWeight: 359.1693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCC(=O)OC

InChI

InChI=1S/C14H15BrO6/c1-3-20-11-7-9(4-5-12(16)17)6-10(15)14(11)21-8-13(18)19-2/h4-7H,3,8H2,1-2H3,(H,16,17)/b5-4+