(1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione

Systemtic Name: (1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione Openeye Name: (1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione CAS Name: (1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione IUPAC Name: (1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione Traditional Name: (1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione Formula: C21H16O6 MolecularWeight: 364.34814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1OC2=C(O1)C=CC(=C2)/C=C/C(=O)CC(=O)/C=C/C3=CC4=C(OCO4)C=C3

InChI

InChI=1S/C21H16O6/c22-16(5-1-14-3-7-18-20(9-14)26-12-24-18)11-17(23)6-2-15-4-8-19-21(10-15)27-13-25-19/h1-10H,11-13H2/b5-1+,6-2+