(E)-3-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)-1-benzofuran-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)-1-benzofuran-2-yl]but-2-enoic acid Openeye Name: (E)-3-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)benzofuran-2-yl]but-2-enoic acid CAS Name: (E)-3-[7-(3,5-ditert-butyl-2-ethoxyphenyl)-2-benzofuranyl]-2-butenoic acid IUPAC Name: (E)-3-[7-(3,5-ditert-butyl-2-ethoxyphenyl)-1-benzofuran-2-yl]but-2-enoic acid Traditional Name: (E)-3-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)benzofuran-2-yl]but-2-enoic acid Formula: C28H34O4 MolecularWeight: 434.56716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=CC=CC3=C2OC(=C3)C(=CC(=O)O)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=CC=CC3=C2OC(=C3)/C(=C/C(=O)O)/C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C28H34O4/c1-9-31-26-21(15-19(27(3,4)5)16-22(26)28(6,7)8)20-12-10-11-18-14-23(32-25(18)20)17(2)13-24(29)30/h10-16H,9H2,1-8H3,(H,29,30)/b17-13+