1-(3-bromanyl-4-oxidanyl-5-phenylmethoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-(3-bromanyl-4-oxidanyl-5-phenylmethoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Openeye Name: 1-(3-benzyloxy-5-bromo-4-hydroxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione CAS Name: 1-(3-bromo-4-hydroxy-5-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione IUPAC Name: 1-(3-bromo-4-hydroxy-5-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Traditional Name: 1-(3-benzoxy-5-bromo-4-hydroxy-phenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione Formula: C26H25BrO7 MolecularWeight: 529.3765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCC(=O)C2=CC(=C(C(=C2)Br)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCC(=O)C2=CC(=C(C(=C2)Br)O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrO7/c1-31-23-13-18(14-24(32-2)26(23)33-3)21(29)10-9-20(28)17-11-19(27)25(30)22(12-17)34-15-16-7-5-4-6-8-16/h4-8,11-14,30H,9-10,15H2,1-3H3